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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 4-(3-nitroanilino)-4-oxo-butanoate CAS Name: 4-(3-nitroanilino)-4-oxobutanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 4-(3-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-2-14-6-8-15(9-7-14)18(23)13-28-20(25)11-10-19(24)21-16-4-3-5-17(12-16)22(26)27/h3-9,12H,2,10-11,13H2,1H3,(H,21,24)