6-(3-methylbutyl)-2-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-(3-methylbutyl)-2-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-isopentyl-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 6-isoamyl-2-keto-1H-pyridine-3-carboxylic acid Formula: C11H15NO3 MolecularWeight: 209.2417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C(=O)N1)C(=O)O

Isomeric SMILES

CC(C)CCC1=CC=C(C(=O)N1)C(=O)O

InChI

InChI=1S/C11H15NO3/c1-7(2)3-4-8-5-6-9(11(14)15)10(13)12-8/h5-7H,3-4H2,1-2H3,(H,12,13)(H,14,15)