5-(2-methylpropanoyl)-2-oxidanylidene-6-propan-2-yl-1H-pyridine-3-carboxylic acid

Systemtic Name: 5-(2-methylpropanoyl)-2-oxidanylidene-6-propan-2-yl-1H-pyridine-3-carboxylic acid Openeye Name: 6-isopropyl-5-(2-methylpropanoyl)-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 5-(2-methyl-1-oxopropyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxylic acid IUPAC Name: 5-(2-methylpropanoyl)-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxylic acid Traditional Name: 5-isobutyryl-6-isopropyl-2-keto-1H-pyridine-3-carboxylic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-6(2)10-8(11(15)7(3)4)5-9(13(17)18)12(16)14-10/h5-7H,1-4H3,(H,14,16)(H,17,18)