2-propanoyl-5-pyridin-3-yl-cyclohexane-1,3-dione

Systemtic Name: 2-propanoyl-5-pyridin-3-yl-cyclohexane-1,3-dione Openeye Name: 2-propanoyl-5-(3-pyridyl)cyclohexane-1,3-dione CAS Name: 2-(1-oxopropyl)-5-(3-pyridinyl)cyclohexane-1,3-dione IUPAC Name: 2-propanoyl-5-pyridin-3-ylcyclohexane-1,3-dione Traditional Name: 2-propionyl-5-(3-pyridyl)cyclohexane-1,3-quinone Formula: C14H15NO3 MolecularWeight: 245.2738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-2-11(16)14-12(17)6-10(7-13(14)18)9-4-3-5-15-8-9/h3-5,8,10,14H,2,6-7H2,1H3