[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-2-16(13-7-4-3-5-8-13)18(22)25-12-17(21)19-14-9-6-10-15(11-14)20(23)24/h3-11,16H,2,12H2,1H3,(H,19,21)