[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N1CCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C)C(=O)N1CCCC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6/c1-11(17(23)26-12(2)16(22)19-8-3-4-9-19)18-15(21)13-6-5-7-14(10-13)20(24)25/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,18,21)/t11-,12-/m0/s1