6-methyl-2-oxidanylidene-5-pentanoyl-1H-pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-oxidanylidene-5-pentanoyl-1H-pyridine-3-carbonitrile Openeye Name: 6-methyl-2-oxo-5-pentanoyl-1H-pyridine-3-carbonitrile CAS Name: 6-methyl-2-oxo-5-(1-oxopentyl)-1H-pyridine-3-carbonitrile IUPAC Name: 6-methyl-2-oxo-5-pentanoyl-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-6-methyl-5-valeryl-1H-pyridine-3-carbonitrile Formula: C12H14N2O2 MolecularWeight: 218.25176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(NC(=O)C(=C1)C#N)C

Isomeric SMILES

CCCCC(=O)C1=C(NC(=O)C(=C1)C#N)C

InChI

InChI=1S/C12H14N2O2/c1-3-4-5-11(15)10-6-9(7-13)12(16)14-8(10)2/h6H,3-5H2,1-2H3,(H,14,16)