(9E)-2,8-dimethyl-9-(nitromethylidene)-8-oxidanyl-undec-2-en-6-one

Systemtic Name: (9E)-2,8-dimethyl-9-(nitromethylidene)-8-oxidanyl-undec-2-en-6-one Openeye Name: (9E)-8-hydroxy-2,8-dimethyl-9-(nitromethylene)undec-2-en-6-one CAS Name: (9E)-8-hydroxy-2,8-dimethyl-9-(nitromethylidene)-2-undecen-6-one IUPAC Name: (9E)-8-hydroxy-2,8-dimethyl-9-(nitromethylidene)undec-2-en-6-one Traditional Name: (1E)-2-ethyl-3-hydroxy-3,9-dimethyl-1-nitro-deca-1,8-dien-5-one Formula: C14H23NO4 MolecularWeight: 269.33672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO4/c1-5-12(10-15(18)19)14(4,17)9-13(16)8-6-7-11(2)3/h7,10,17H,5-6,8-9H2,1-4H3/b12-10+