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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N(C)C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-9(14(20)23-8-12(18)16(2)3)15-13(19)10-5-4-6-11(7-10)17(21)22/h4-7,9H,8H2,1-3H3,(H,15,19)/t9-/m0/s1