(2-azanyl-2-oxidanylidene-ethyl) (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-amino-2-oxo-ethyl) (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid (2-amino-2-keto-ethyl) ester Formula: C14H16ClN3O6 MolecularWeight: 357.74634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O6/c1-7(2)12(14(21)24-6-11(16)19)17-13(20)8-3-4-9(15)10(5-8)18(22)23/h3-5,7,12H,6H2,1-2H3,(H2,16,19)(H,17,20)/t12-/m0/s1