2-methyl-8-[(E)-1-nitroprop-1-en-2-yl]-8-oxidanyl-tridec-2-en-6-one

Systemtic Name: 2-methyl-8-[(E)-1-nitroprop-1-en-2-yl]-8-oxidanyl-tridec-2-en-6-one Openeye Name: 8-hydroxy-2-methyl-8-[(E)-1-methyl-2-nitro-vinyl]tridec-2-en-6-one CAS Name: 8-hydroxy-2-methyl-8-[(E)-1-nitroprop-1-en-2-yl]-2-tridecen-6-one IUPAC Name: 8-hydroxy-2-methyl-8-[(E)-1-nitroprop-1-en-2-yl]tridec-2-en-6-one Traditional Name: (1E)-3-amyl-3-hydroxy-2,9-dimethyl-1-nitro-deca-1,8-dien-5-one Formula: C17H29NO4 MolecularWeight: 311.41646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO4/c1-5-6-7-11-17(20,15(4)13-18(21)22)12-16(19)10-8-9-14(2)3/h9,13,20H,5-8,10-12H2,1-4H3/b15-13+