4-methyl-4-(nitromethyl)octane-3,6-dione

Systemtic Name: 4-methyl-4-(nitromethyl)octane-3,6-dione Openeye Name: 4-methyl-4-(nitromethyl)octane-3,6-dione CAS Name: 4-methyl-4-(nitromethyl)octane-3,6-dione IUPAC Name: 4-methyl-4-(nitromethyl)octane-3,6-dione Traditional Name: 4-methyl-4-(nitromethyl)octane-3,6-dione Formula: C10H17NO4 MolecularWeight: 215.24628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO4/c1-4-8(12)6-10(3,7-11(14)15)9(13)5-2/h4-7H2,1-3H3