[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17FN2O5 MolecularWeight: 360.336383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O5/c1-12(13-5-3-2-4-6-13)9-18(23)26-11-17(22)20-14-7-8-15(19)16(10-14)21(24)25/h2-8,10,12H,9,11H2,1H3,(H,20,22)