(phenylmethyl) N-[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-(4-nitroanilino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(4-nitroanilino)ethyl]carbamic acid benzyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c27-22(24-19-11-13-20(14-12-19)26(29)30)21(15-17-7-3-1-4-8-17)25-23(28)31-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,24,27)(H,25,28)/t21-/m0/s1