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

Systemtic Name: phenacyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: phenacyl 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid phenacyl ester IUPAC Name: phenacyl 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid phenacyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c21-16(13-5-2-1-3-6-13)12-26-18(23)10-9-17(22)19-14-7-4-8-15(11-14)20(24)25/h1-8,11H,9-10,12H2,(H,19,22)