2-[2,2,6,6-tetramethyl-3,5-bis(oxidanylidene)heptan-4-yl]pyridine-3-carboxylate

Systemtic Name: 2-[2,2,6,6-tetramethyl-3,5-bis(oxidanylidene)heptan-4-yl]pyridine-3-carboxylate Openeye Name: 2-[1-(2,2-dimethylpropanoyl)-3,3-dimethyl-2-oxo-butyl]pyridine-3-carboxylate CAS Name: 2-(2,2,6,6-tetramethyl-3,5-dioxoheptan-4-yl)-3-pyridinecarboxylate IUPAC Name: 2-(2,2,6,6-tetramethyl-3,5-dioxoheptan-4-yl)pyridine-3-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-1-pivaloyl-butyl)nicotinate Formula: C17H22NO4- MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C1=C(C=CC=N1)C(=O)[O-])C(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)C(C1=C(C=CC=N1)C(=O)[O-])C(=O)C(C)(C)C

InChI

InChI=1S/C17H23NO4/c1-16(2,3)13(19)11(14(20)17(4,5)6)12-10(15(21)22)8-7-9-18-12/h7-9,11H,1-6H3,(H,21,22)/p-1