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

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O5/c1-13(14-5-3-2-4-6-14)11-18(22)25-12-17(21)19-15-7-9-16(10-8-15)20(23)24/h2-10,13H,11-12H2,1H3,(H,19,21)