2-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyridine-3-carboxylic acid Openeye Name: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]pyridine-3-carboxylic acid CAS Name: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]pyridine-3-carboxylic acid Traditional Name: 2-[(Z)-1-hydroxy-3-keto-4,4-dimethyl-pent-1-enyl]nicotinic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=C(C1=C(C=CC=N1)C(=O)O)O

Isomeric SMILES

CC(C)(C)C(=O)/C=C(/C1=C(C=CC=N1)C(=O)O)\O

InChI

InChI=1S/C13H15NO4/c1-13(2,3)10(16)7-9(15)11-8(12(17)18)5-4-6-14-11/h4-7,15H,1-3H3,(H,17,18)/b9-7-