6-(2,2-dimethylpropyl)-1-methyl-2-oxidanylidene-pyridine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=C(C(=O)N1C)C(=O)O

Isomeric SMILES

CC(C)(C)CC1=CC=C(C(=O)N1C)C(=O)O

InChI

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