2-(2-methyl-4-oxidanyl-4-oxidanylidene-butyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(2-methyl-4-oxidanyl-4-oxidanylidene-butyl)pyridine-3-carboxylic acid Openeye Name: 2-(4-hydroxy-2-methyl-4-oxo-butyl)pyridine-3-carboxylic acid CAS Name: 2-(4-hydroxy-2-methyl-4-oxobutyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(4-hydroxy-2-methyl-4-oxobutyl)pyridine-3-carboxylic acid Traditional Name: 2-(4-hydroxy-4-keto-2-methyl-butyl)nicotinic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=CC=N1)C(=O)O)CC(=O)O

Isomeric SMILES

CC(CC1=C(C=CC=N1)C(=O)O)CC(=O)O

InChI

InChI=1S/C11H13NO4/c1-7(6-10(13)14)5-9-8(11(15)16)3-2-4-12-9/h2-4,7H,5-6H2,1H3,(H,13,14)(H,15,16)