[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O6/c1-7(13(20)23-6-11(18)15-2)16-12(19)8-3-4-9(14)10(5-8)17(21)22/h3-5,7H,6H2,1-2H3,(H,15,18)(H,16,19)/t7-/m0/s1