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

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C25H22FN3O7 MolecularWeight: 495.456483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H22FN3O7/c26-20-12-11-19(14-22(20)29(33)34)27-23(30)16-35-24(31)21(13-17-7-3-1-4-8-17)28-25(32)36-15-18-9-5-2-6-10-18/h1-12,14,21H,13,15-16H2,(H,27,30)(H,28,32)