[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-22(2)20(26)18(14-6-4-3-5-7-14)29-17(24)12-13-21-19(25)15-8-10-16(11-9-15)23(27)28/h3-11,18H,12-13H2,1-2H3,(H,21,25)/t18-/m0/s1