4-[(4-methylphenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-methylphenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(4-methylanilino)-3-nitro-benzoic acid CAS Name: 4-(4-methylanilino)-3-nitrobenzoic acid IUPAC Name: 4-(4-methylanilino)-3-nitrobenzoic acid Traditional Name: 3-nitro-4-(p-toluidino)benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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