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

Systemtic Name: (3,4-dichlorophenyl)methyl 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3,4-dichlorophenyl)methyl 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid (3,4-dichlorobenzyl) ester Formula: C17H14Cl2N2O5 MolecularWeight: 397.20946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H14Cl2N2O5/c18-14-5-4-11(8-15(14)19)10-26-17(23)7-6-16(22)20-12-2-1-3-13(9-12)21(24)25/h1-5,8-9H,6-7,10H2,(H,20,22)