4,6-dimethyl-1-(2-methylpropyl)-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 4,6-dimethyl-1-(2-methylpropyl)-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-isobutyl-4,6-dimethyl-2-oxo-pyridine-3-carboxylic acid CAS Name: 4,6-dimethyl-1-(2-methylpropyl)-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 4,6-dimethyl-1-(2-methylpropyl)-2-oxopyridine-3-carboxylic acid Traditional Name: 1-isobutyl-2-keto-4,6-dimethyl-nicotinic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CC(C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1CC(C)C)C(=O)O)C

InChI

InChI=1S/C12H17NO3/c1-7(2)6-13-9(4)5-8(3)10(11(13)14)12(15)16/h5,7H,6H2,1-4H3,(H,15,16)