(4-methylphenyl) 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-methylphenyl) 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: p-tolyl 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid p-tolyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-12-5-7-15(8-6-12)24-17(21)10-9-16(20)18-13-3-2-4-14(11-13)19(22)23/h2-8,11H,9-10H2,1H3,(H,18,20)