2-(1-oxidanylbutylidene)-5-pyridin-3-yl-cyclohexane-1,3-dione

Systemtic Name: 2-(1-oxidanylbutylidene)-5-pyridin-3-yl-cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-(3-pyridyl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-(3-pyridinyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-pyridin-3-ylcyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-(3-pyridyl)cyclohexane-1,3-quinone Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=CN=CC=C2)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=CN=CC=C2)O

InChI

InChI=1S/C15H17NO3/c1-2-4-12(17)15-13(18)7-11(8-14(15)19)10-5-3-6-16-9-10/h3,5-6,9,11,17H,2,4,7-8H2,1H3