[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-(3-chloroanilino)-4-oxo-butanoate CAS Name: 4-(3-chloroanilino)-4-oxobutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-(3-chloroanilino)-4-oxobutanoate Traditional Name: 4-(3-chloroanilino)-4-keto-butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6/c19-12-3-1-4-13(9-12)20-16(23)7-8-18(25)28-11-17(24)21-14-5-2-6-15(10-14)22(26)27/h1-6,9-10H,7-8,11H2,(H,20,23)(H,21,24)