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

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-keto-2-(2-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/c1-2-14(13-8-4-3-5-9-13)18(22)25-12-17(21)19-15-10-6-7-11-16(15)20(23)24/h3-11,14H,2,12H2,1H3,(H,19,21)