methyl 4-(2-methyl-3-oxidanylidene-butan-2-yl)pyridine-3-carboxylate

Systemtic Name: methyl 4-(2-methyl-3-oxidanylidene-butan-2-yl)pyridine-3-carboxylate Openeye Name: methyl 4-(1,1-dimethyl-2-oxo-propyl)pyridine-3-carboxylate CAS Name: 4-(2-methyl-3-oxobutan-2-yl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-methyl-3-oxobutan-2-yl)pyridine-3-carboxylate Traditional Name: 4-(2-keto-1,1-dimethyl-propyl)nicotinic acid methyl ester Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-8(14)12(2,3)10-5-6-13-7-9(10)11(15)16-4/h5-7H,1-4H3