[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C26H25N3O7 MolecularWeight: 491.4926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O7/c1-18(24(30)27-21-14-8-9-15-23(21)29(33)34)36-25(31)22(16-19-10-4-2-5-11-19)28-26(32)35-17-20-12-6-3-7-13-20/h2-15,18,22H,16-17H2,1H3,(H,27,30)(H,28,32)