(phenylmethyl) (2S)-2-methyl-2-nitro-5-oxidanylidene-hexanoate

Systemtic Name: (phenylmethyl) (2S)-2-methyl-2-nitro-5-oxidanylidene-hexanoate Openeye Name: benzyl (2S)-2-methyl-2-nitro-5-oxo-hexanoate CAS Name: (2S)-2-methyl-2-nitro-5-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-methyl-2-nitro-5-oxohexanoate Traditional Name: (2S)-5-keto-2-methyl-2-nitro-hexanoic acid benzyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C)(C(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC[C@@](C)(C(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO5/c1-11(16)8-9-14(2,15(18)19)13(17)20-10-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3/t14-/m0/s1