[(1R)-1-cyanoethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-3-methyl-butyric acid [(1R)-1-cyanoethyl] ester Formula: C15H16ClN3O5 MolecularWeight: 353.75764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O5/c1-8(2)13(15(21)24-9(3)7-17)18-14(20)10-4-5-11(16)12(6-10)19(22)23/h4-6,8-9,13H,1-3H3,(H,18,20)/t9-,13+/m1/s1