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

Systemtic Name: 2-[(3-methylphenyl)amino]-3-nitro-benzoic acid Openeye Name: 2-(3-methylanilino)-3-nitro-benzoic acid CAS Name: 2-(3-methylanilino)-3-nitrobenzoic acid IUPAC Name: 2-(3-methylanilino)-3-nitrobenzoic acid Traditional Name: 2-(m-toluidino)-3-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=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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