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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 4-(4-acetylanilino)-4-oxo-butanoate CAS Name: 4-(4-acetylanilino)-4-oxobutanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate Traditional Name: 4-(4-acetylanilino)-4-keto-butyric acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7/c1-13(23)14-5-7-16(8-6-14)21-19(25)9-10-20(26)29-12-18(24)15-3-2-4-17(11-15)22(27)28/h2-8,11H,9-10,12H2,1H3,(H,21,25)