(6E)-5-methyl-6-(nitromethylidene)-5-oxidanyl-octan-3-one

Systemtic Name: (6E)-5-methyl-6-(nitromethylidene)-5-oxidanyl-octan-3-one Openeye Name: (6E)-5-hydroxy-5-methyl-6-(nitromethylene)octan-3-one CAS Name: (6E)-5-hydroxy-5-methyl-6-(nitromethylidene)-3-octanone IUPAC Name: (6E)-5-hydroxy-5-methyl-6-(nitromethylidene)octan-3-one Traditional Name: (E)-6-ethyl-5-hydroxy-5-methyl-7-nitro-hept-6-en-3-one Formula: C10H17NO4 MolecularWeight: 215.24628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO4/c1-4-8(7-11(14)15)10(3,13)6-9(12)5-2/h7,13H,4-6H2,1-3H3/b8-7+