1-hexyl-4-methyl-2-oxidanyl-6-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-hexyl-4-methyl-2-oxidanyl-6-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-hexyl-2-hydroxy-4-methyl-6-oxo-pyridine-3-carbonitrile CAS Name: 1-hexyl-2-hydroxy-4-methyl-6-oxo-3-pyridinecarbonitrile IUPAC Name: 1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile Traditional Name: 1-hexyl-2-hydroxy-6-keto-4-methyl-nicotinonitrile Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C=C(C(=C1O)C#N)C

Isomeric SMILES

CCCCCCN1C(=O)C=C(C(=C1O)C#N)C

InChI

InChI=1S/C13H18N2O2/c1-3-4-5-6-7-15-12(16)8-10(2)11(9-14)13(15)17/h8,17H,3-7H2,1-2H3