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

Systemtic Name: [2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dichlorophenyl)-2-oxo-ethyl] 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid [2-(3,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichlorophenyl)-2-oxoethyl] 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid [2-(3,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C18H14Cl2N2O6 MolecularWeight: 425.21956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O6/c19-14-5-4-11(8-15(14)20)16(23)10-28-18(25)7-6-17(24)21-12-2-1-3-13(9-12)22(26)27/h1-5,8-9H,6-7,10H2,(H,21,24)