(4-aminocarbonyl-2-nitro-phenyl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H15ClN2O6 MolecularWeight: 390.7745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN2O6/c19-14-5-3-11(4-6-14)16(22)7-8-17(23)27-10-13-2-1-12(18(20)24)9-15(13)21(25)26/h1-6,9H,7-8,10H2,(H2,20,24)