3-[(4-methyl-2-nitro-phenyl)amino]benzoic acid

Systemtic Name: 3-[(4-methyl-2-nitro-phenyl)amino]benzoic acid Openeye Name: 3-(4-methyl-2-nitro-anilino)benzoic acid CAS Name: 3-(4-methyl-2-nitroanilino)benzoic acid IUPAC Name: 3-(4-methyl-2-nitroanilino)benzoic acid Traditional Name: 3-(4-methyl-2-nitro-anilino)benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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