[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H18BrClN2O6 MolecularWeight: 545.76652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)CCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)CCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H18BrClN2O6/c25-19-14-18(28(32)33)10-11-20(19)27-24(31)23(16-4-2-1-3-5-16)34-22(30)13-12-21(29)15-6-8-17(26)9-7-15/h1-11,14,23H,12-13H2,(H,27,31)