[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C15H17N3O5 MolecularWeight: 319.31258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5/c1-10(2)15(3,9-16)17-13(19)8-23-14(20)11-6-4-5-7-12(11)18(21)22/h4-7,10H,8H2,1-3H3,(H,17,19)/t15-/m0/s1