[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C13H14ClN3O6 MolecularWeight: 343.71976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O6/c1-6(13(20)23-7(2)11(15)18)16-12(19)8-3-4-9(14)10(5-8)17(21)22/h3-7H,1-2H3,(H2,15,18)(H,16,19)/t6-,7+/m0/s1