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

Systemtic Name: 4-methyl-3-[[2-nitro-4-(phenylcarbonyl)phenyl]amino]benzoic acid Openeye Name: 3-(4-benzoyl-2-nitro-anilino)-4-methyl-benzoic acid CAS Name: 3-(4-benzoyl-2-nitroanilino)-4-methylbenzoic acid IUPAC Name: 3-(4-benzoyl-2-nitroanilino)-4-methylbenzoic acid Traditional Name: 3-(4-benzoyl-2-nitro-anilino)-4-methyl-benzoic acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O5/c1-13-7-8-16(21(25)26)11-18(13)22-17-10-9-15(12-19(17)23(27)28)20(24)14-5-3-2-4-6-14/h2-12,22H,1H3,(H,25,26)