Nitrobenzoic acids and derivatives
Nitrobenzoic acids and derivatives
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3,5-Dinitrobenzoic acid, 98+%, Thermo Scientific Chemicals
CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
PubChem CID | 7433 |
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CAS | 99-34-3 |
Molecular Weight (g/mol) | 212.12 |
ChEBI | CHEBI:73914 |
MDL Number | MFCD00007253 |
SMILES | OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O |
Synonym | 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid |
IUPAC Name | 3,5-dinitrobenzoic acid |
InChI Key | VYWYYJYRVSBHJQ-UHFFFAOYSA-N |
Molecular Formula | C7H4N2O6 |
5,5'-Dithiobis-(2-nitrobenzoic acid), 99%, Thermo Scientific Chemicals
CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
PubChem CID | 6254 |
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CAS | 69-78-3 |
Molecular Weight (g/mol) | 396.34 |
ChEBI | CHEBI:86228 |
MDL Number | MFCD00007140 |
SMILES | OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O |
Synonym | dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid |
IUPAC Name | 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid |
InChI Key | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
Molecular Formula | C14H8N2O8S2 |
4-Nitrobenzoic acid, 99+%, Thermo Scientific Chemicals
CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
PubChem CID | 6108 |
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CAS | 62-23-7 |
Molecular Weight (g/mol) | 167.12 |
ChEBI | CHEBI:262350 |
MDL Number | MFCD00007352 |
SMILES | C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] |
Synonym | 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova |
InChI Key | OTLNPYWUJOZPPA-UHFFFAOYSA-N |
Molecular Formula | C7H5NO4 |
Nitroterephthalic acid, 99+%, Thermo Scientific Chemicals
CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
PubChem CID | 69122 |
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CAS | 610-29-7 |
Molecular Weight (g/mol) | 211.13 |
MDL Number | MFCD00007141 |
SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O |
Synonym | nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u |
InChI Key | QUMITRDILMWWBC-UHFFFAOYSA-N |
Molecular Formula | C8H5NO6 |
4-Nitrobenzoic acid, 99%, Thermo Scientific Chemicals
CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
PubChem CID | 6108 |
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CAS | 62-23-7 |
Molecular Weight (g/mol) | 167.12 |
ChEBI | CHEBI:262350 |
MDL Number | MFCD00007352 |
SMILES | C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] |
Synonym | 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova |
InChI Key | OTLNPYWUJOZPPA-UHFFFAOYSA-N |
Molecular Formula | C7H5NO4 |
4-Fluoro-3-nitrobenzoic acid, 98%, Thermo Scientific Chemicals
CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid PubChem CID: 67987 IUPAC Name: 4-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
PubChem CID | 67987 |
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CAS | 453-71-4 |
Molecular Weight (g/mol) | 185.11 |
MDL Number | MFCD00007058 |
SMILES | OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O |
Synonym | 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid |
IUPAC Name | 4-fluoro-3-nitrobenzoic acid |
InChI Key | BOJWTAQWPVBIPG-UHFFFAOYSA-N |
Molecular Formula | C7H4FNO4 |
5,5'-Dithiobis(2-nitrobenzoic acid), 99%, Thermo Scientific Chemicals
CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
PubChem CID | 6254 |
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CAS | 69-78-3 |
Molecular Weight (g/mol) | 396.34 |
ChEBI | CHEBI:86228 |
MDL Number | MFCD00007140 |
SMILES | OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O |
Synonym | dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid |
IUPAC Name | 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid |
InChI Key | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
Molecular Formula | C14H8N2O8S2 |
3,5-Dimethyl-4-nitrobenzoic acid, 97%, Thermo Scientific Chemicals
CAS: 3095-38-3 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00014699 InChI Key: RBAVFNOGEPCOQI-UHFFFAOYSA-N PubChem CID: 249413 IUPAC Name: 3,5-dimethyl-4-nitrobenzoic acid SMILES: CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O
PubChem CID | 249413 |
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CAS | 3095-38-3 |
Molecular Weight (g/mol) | 195.17 |
MDL Number | MFCD00014699 |
SMILES | CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O |
IUPAC Name | 3,5-dimethyl-4-nitrobenzoic acid |
InChI Key | RBAVFNOGEPCOQI-UHFFFAOYSA-N |
Molecular Formula | C9H9NO4 |
3-Bromo-4-nitrobenzoic acid, 97%, Thermo Scientific Chemicals
CAS: 101420-81-9 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.02 MDL Number: MFCD04117949 InChI Key: KKPPNEJUUOQRLE-UHFFFAOYSA-N Synonym: 3-bromo-4-nitrobenzoic acid,3-bromo-4-nitrobenzoicacid,benzoic acid,3-bromo-4-nitro,benzoic acid, 3-bromo-4-nitro,3-bromo-4-nitrobenzoic acid 97,pubchem16301,acmc-209x3e,4-nitro-3-bromobenzoic acid,3-bromo-4-nitro-benzoic acid PubChem CID: 16218087 IUPAC Name: 3-bromo-4-nitrobenzoic acid SMILES: OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O
PubChem CID | 16218087 |
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CAS | 101420-81-9 |
Molecular Weight (g/mol) | 246.02 |
MDL Number | MFCD04117949 |
SMILES | OC(=O)C1=CC(Br)=C(C=C1)[N+]([O-])=O |
Synonym | 3-bromo-4-nitrobenzoic acid,3-bromo-4-nitrobenzoicacid,benzoic acid,3-bromo-4-nitro,benzoic acid, 3-bromo-4-nitro,3-bromo-4-nitrobenzoic acid 97,pubchem16301,acmc-209x3e,4-nitro-3-bromobenzoic acid,3-bromo-4-nitro-benzoic acid |
IUPAC Name | 3-bromo-4-nitrobenzoic acid |
InChI Key | KKPPNEJUUOQRLE-UHFFFAOYSA-N |
Molecular Formula | C7H4BrNO4 |
3-Methyl-4-nitrobenzoic acid, 99%, Thermo Scientific Chemicals
CAS: 3113-71-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
PubChem CID | 18370 |
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CAS | 3113-71-1 |
Molecular Weight (g/mol) | 181.147 |
MDL Number | MFCD00007168 |
SMILES | CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
InChI Key | XDTTUTIFWDAMIX-UHFFFAOYSA-N |
Molecular Formula | C8H7NO4 |
5-Hydroxy-2-nitrobenzoic acid, 99%, Thermo Scientific Chemicals
CAS: 610-37-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017566 InChI Key: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
PubChem CID | 11882 |
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CAS | 610-37-7 |
Molecular Weight (g/mol) | 183.119 |
MDL Number | MFCD00017566 |
SMILES | C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-] |
InChI Key | BUHKQTKKZAXSMH-UHFFFAOYSA-N |
Molecular Formula | C7H5NO5 |
3-Nitro-5-(trifluoromethyl)benzoic acid, 97%, Thermo Scientific Chemicals
CAS: 328-80-3 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00024509 InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 PubChem CID: 616602 SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
PubChem CID | 616602 |
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CAS | 328-80-3 |
Molecular Weight (g/mol) | 235.118 |
MDL Number | MFCD00024509 |
SMILES | C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O |
Synonym | 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 |
InChI Key | ODCLHXGXGFBBTA-UHFFFAOYSA-N |
Molecular Formula | C8H4F3NO4 |
Methyl 4-nitrobenzoate, 99%, Thermo Scientific Chemicals
CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
PubChem CID | 12083 |
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CAS | 619-50-1 |
Molecular Weight (g/mol) | 181.147 |
MDL Number | MFCD00007350 |
SMILES | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Synonym | methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester |
IUPAC Name | methyl 4-nitrobenzoate |
InChI Key | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
Molecular Formula | C8H7NO4 |
4-Bromomethyl-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals
CAS: 55715-03-2 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00216575 InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid PubChem CID: 132386 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
PubChem CID | 132386 |
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CAS | 55715-03-2 |
Molecular Weight (g/mol) | 260.043 |
MDL Number | MFCD00216575 |
SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr |
Synonym | 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid |
InChI Key | QMAHVAFURJBOFV-UHFFFAOYSA-N |
Molecular Formula | C8H6BrNO4 |
Methyle3-methyl-4-nitrobenzoate, 97%, Thermo Scientific™
CAS: 24078-21-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00085640 InChI Key: IEFONJKJLZFGKQ-UHFFFAOYSA-N Synonym: benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d PubChem CID: 260927 IUPAC Name: methyl 3-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
PubChem CID | 260927 |
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CAS | 24078-21-5 |
Molecular Weight (g/mol) | 195.174 |
MDL Number | MFCD00085640 |
SMILES | CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-] |
Synonym | benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d |
IUPAC Name | methyl 3-methyl-4-nitrobenzoate |
InChI Key | IEFONJKJLZFGKQ-UHFFFAOYSA-N |
Molecular Formula | C9H9NO4 |