2-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)-3-methyl-butanoic acid

Systemtic Name: 2-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)-3-methyl-butanoic acid Openeye Name: 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)-3-methyl-butanoic acid CAS Name: 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-3-methylbutanoic acid IUPAC Name: 2-(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)-3-methylbutanoic acid Traditional Name: 2-(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)-3-methyl-butyric acid Formula: C13H16N2O3 MolecularWeight: 248.27774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1C(C(C)C)C(=O)O)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1C(C(C)C)C(=O)O)C#N)C

InChI

InChI=1S/C13H16N2O3/c1-7(2)11(13(17)18)15-9(4)5-8(3)10(6-14)12(15)16/h5,7,11H,1-4H3,(H,17,18)