(E)-5,6-dimethyl-7-nitro-5-oxidanyl-hept-6-en-3-one

Systemtic Name: (E)-5,6-dimethyl-7-nitro-5-oxidanyl-hept-6-en-3-one Openeye Name: (E)-5-hydroxy-5,6-dimethyl-7-nitro-hept-6-en-3-one CAS Name: (E)-5-hydroxy-5,6-dimethyl-7-nitro-6-hepten-3-one IUPAC Name: (E)-5-hydroxy-5,6-dimethyl-7-nitrohept-6-en-3-one Traditional Name: (E)-5-hydroxy-5,6-dimethyl-7-nitro-hept-6-en-3-one Formula: C9H15NO4 MolecularWeight: 201.2197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO4/c1-4-8(11)5-9(3,12)7(2)6-10(13)14/h6,12H,4-5H2,1-3H3/b7-6+