2-[(3-methylphenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(3-methylphenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(3-methylanilino)-5-nitro-benzoic acid CAS Name: 2-(3-methylanilino)-5-nitrobenzoic acid IUPAC Name: 2-(3-methylanilino)-5-nitrobenzoic acid Traditional Name: 2-(m-toluidino)-5-nitro-benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H12N2O4/c1-9-3-2-4-10(7-9)15-13-6-5-11(16(19)20)8-12(13)14(17)18/h2-8,15H,1H3,(H,17,18)