[(1R)-1-cyanoethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [(1R)-1-cyanoethyl] ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-8(7-14)21-13(18)9(2)15-12(17)10-4-3-5-11(6-10)16(19)20/h3-6,8-9H,1-2H3,(H,15,17)/t8-,9+/m1/s1