propan-2-yl 3-methyl-3-(nitromethyl)-4-oxidanylidene-hexanoate

Systemtic Name: propan-2-yl 3-methyl-3-(nitromethyl)-4-oxidanylidene-hexanoate Openeye Name: isopropyl 3-methyl-3-(nitromethyl)-4-oxo-hexanoate CAS Name: 3-methyl-3-(nitromethyl)-4-oxohexanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-methyl-3-(nitromethyl)-4-oxohexanoate Traditional Name: 4-keto-3-methyl-3-(nitromethyl)hexanoic acid isopropyl ester Formula: C11H19NO5 MolecularWeight: 245.27226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO5/c1-5-9(13)11(4,7-12(15)16)6-10(14)17-8(2)3/h8H,5-7H2,1-4H3