[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(3-ethanoylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(3-ethanoylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 4-(3-acetylanilino)-4-oxo-butanoate CAS Name: 4-(3-acetylanilino)-4-oxobutanoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-(3-acetylanilino)-4-oxobutanoate Traditional Name: 4-(3-acetylanilino)-4-keto-butyric acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C20H17ClN2O7 MolecularWeight: 432.81118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O7/c1-12(24)13-3-2-4-15(9-13)22-19(26)7-8-20(27)30-11-18(25)14-5-6-16(21)17(10-14)23(28)29/h2-6,9-10H,7-8,11H2,1H3,(H,22,26)