(3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H23ClN2O6 MolecularWeight: 398.83802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O6/c1-10(2)15(17(24)27-9-14(22)18(3,4)5)20-16(23)11-6-7-12(19)13(8-11)21(25)26/h6-8,10,15H,9H2,1-5H3,(H,20,23)/t15-/m0/s1