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Nitrobenzoic acids and derivatives
Description:
Compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
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Ethyl 3-methyl-2-nitrobenzoateCas Number: 54064-39-0 Compound CID: 20093011Formula: C10H11NO4 Molecular Weight: 209.2IUPAC Name: ethyl 3-methyl-2-nitrobenzoateSMILES: CCOC(=O)C1=CC=CC(=C1[N+](=O)[O-])CInChIKey: GORJIFRUPPQKPQ-UHFFFAOYSA-NInChI: InChI=1S/C10H11NO4/c1-3-15-10(12)8-6-4-5-7(2)9(8)11(13)14/h4-6H,3H2,1-2H3 -
Ethyl 3-fluoro-2-nitrobenzoateCas Number: 163077-89-2 Compound CID: 11806033Formula: C9H8FNO4 Molecular Weight: 213.16IUPAC Name: ethyl 3-fluoro-2-nitrobenzoateSMILES: CCOC(=O)C1=C(C(=CC=C1)F)[N+](=O)[O-]InChIKey: GISOWGLYGNGJHV-UHFFFAOYSA-NInChI: InChI=1S/C9H8FNO4/c1-2-15-9(12)6-4-3-5-7(10)8(6)11(13)14/h3-5H,2H2,1H3
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7-Nitro-1H-Benzo[D][1，2，3]Triazole-5-Carboxylic AcidCas Number: 333767-00-3 Compound CID: 6404179Formula: C7H4N4O4 Molecular Weight: 208.13IUPAC Name: 7-nitro-2H-benzotriazole-5-carboxylic acidSMILES: C1=C(C=C(C2=NNN=C21)[N+](=O)[O-])C(=O)OInChIKey: CICJYYXCHDFAHJ-UHFFFAOYSA-NInChI: InChI=1S/C7H4N4O4/c12-7(13)3-1-4-6(9-10-8-4)5(2-3)11(14)15/h1-2H,(H,12,13)(H,8,9,10)
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5-chloro-2-methyl-3-nitrobenzoic acidCas Number: 154257-81-5 Compound CID: 23009762Formula: C8H6ClNO4 Molecular Weight: 215.59IUPAC Name: 5-chloro-2-methyl-3-nitrobenzoic acidSMILES: CC1=C(C=C(C=C1[N+](=O)[O-])Cl)C(=O)OInChIKey: KSLZRIXXMKXDEO-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
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5-Iodo-2-nitrobenzoic acidCas Number: 35674-28-3 Compound CID: 13756757Formula: C7H4INO4IUPAC Name: 5-iodo-2-nitrobenzoic acidSMILES: C1=CC(=C(C=C1I)C(=O)O)[N+](=O)[O-]InChIKey: RYOSQAPCAPOLCV-UHFFFAOYSA-NInChI: InChI=1S/C7H4INO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
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5-Fluoro-3-methoxy-2-nitrobenzoic acidCas Number: 1007113-04-3 Compound CID: 66873729Formula: C8H6FNO5 Molecular Weight: 215.13IUPAC Name: 5-fluoro-3-methoxy-2-nitrobenzoic acidSMILES: COC1=CC(=CC(=C1[N+](=O)[O-])C(=O)O)FInChIKey: JKBWWRZRHVTZAW-UHFFFAOYSA-NInChI: InChI=1S/C8H6FNO5/c1-15-6-3-4(9)2-5(8(11)12)7(6)10(13)14/h2-3H,1H3,(H,11,12)
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5-Chloro-2，4-Dinitrobenzoic AcidCas Number: 136833-36-8 Compound CID: 3727860Formula: C7H3ClN2O6 Molecular Weight: 246.56IUPAC Name: 5-chloro-2,4-dinitrobenzoic acidSMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])[N+](=O)[O-])C(=O)OInChIKey: VVQOEJCXWMGEJG-UHFFFAOYSA-NInChI: InChI=1S/C7H3ClN2O6/c8-4-1-3(7(11)12)5(9(13)14)2-6(4)10(15)16/h1-2H,(H,11,12)
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4-Nitro-1H-indazole-6-carboxylic acidCas Number: 885519-71-1 Compound CID: 24728271Formula: C8H5N3O4 Molecular Weight: 207.14IUPAC Name: 4-nitro-1H-indazole-6-carboxylic acidSMILES: C1=C(C=C(C2=C1NN=C2)[N+](=O)[O-])C(=O)OInChIKey: HIXTUKCZSXGARG-UHFFFAOYSA-NInChI: InChI=1S/C8H5N3O4/c12-8(13)4-1-6-5(3-9-10-6)7(2-4)11(14)15/h1-3H,(H,9,10)(H,12,13)
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4-IODO-2-NITROBENZOIC ACIDCas Number: 116529-62-5 Compound CID: 18919883Formula: C7H4INO4 Molecular Weight: 293.02IUPAC Name: 4-iodo-2-nitrobenzoic acidSMILES: C1=CC(=C(C=C1I)[N+](=O)[O-])C(=O)OInChIKey: IZBFYNYRKIUGSG-UHFFFAOYSA-NInChI: InChI=1S/C7H4INO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
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4-Hydroxy-5-methoxy-2-nitrobenzoic acidCas Number: 140647-01-4 Compound CID: 11052987IUPAC Name: 4-hydroxy-5-methoxy-2-nitrobenzoic acidSMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OInChIKey: RAPBNVDGGBJECM-UHFFFAOYSA-NInChI: InChI=1S/C8H7NO6/c1-15-7-2-4(8(11)12)5(9(13)14)3-6(7)10/h2-3,10H,1H3,(H,11,12)
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4-Hydroxy-2-nitrobenzoic acidCas Number: 74230-08-3 Compound CID: 21753345Formula: C7H5NO5 Molecular Weight: 183.12IUPAC Name: 4-hydroxy-2-nitrobenzoic acidSMILES: C1=CC(=C(C=C1O)[N+](=O)[O-])C(=O)OInChIKey: FNDZIIJCKXGZJA-UHFFFAOYSA-NInChI: InChI=1S/C7H5NO5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)
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3，4-Dimethoxy-5-nitrobenzoic acidCas Number: 91004-48-7 Compound CID: 21928624Formula: C9H9NO6 Molecular Weight: 227.17IUPAC Name: 3,4-dimethoxy-5-nitrobenzoic acidSMILES: COC1=CC(=CC(=C1OC)[N+](=O)[O-])C(=O)OInChIKey: GQNSKXYALDGGGN-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO6/c1-15-7-4-5(9(11)12)3-6(10(13)14)8(7)16-2/h3-4H,1-2H3,(H,11,12)
