[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C20H21N3O6/c1-13(20(26)22-16-10-6-7-11-18(16)23(27)28)29-19(25)12-17(21-14(2)24)15-8-4-3-5-9-15/h3-11,13,17H,12H2,1-2H3,(H,21,24)(H,22,26)/t13-,17+/m0/s1