methyl 2-(4,4-dimethyl-3-oxidanylidene-pentanoyl)pyridine-3-carboxylate

Systemtic Name: methyl 2-(4,4-dimethyl-3-oxidanylidene-pentanoyl)pyridine-3-carboxylate Openeye Name: methyl 2-(4,4-dimethyl-3-oxo-pentanoyl)pyridine-3-carboxylate CAS Name: 2-(4,4-dimethyl-1,3-dioxopentyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4,4-dimethyl-3-oxopentanoyl)pyridine-3-carboxylate Traditional Name: 2-(3-keto-4,4-dimethyl-pentanoyl)nicotinic acid methyl ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-14(2,3)11(17)8-10(16)12-9(13(18)19-4)6-5-7-15-12/h5-7H,8H2,1-4H3