(3,3-dimethyl-2-oxidanylidene-butyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(N=CC=C1)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(N=CC=C1)N2C=NC=N2

InChI

InChI=1S/C14H16N4O3/c1-14(2,3)11(19)7-21-13(20)10-5-4-6-16-12(10)18-9-15-8-17-18/h4-6,8-9H,7H2,1-3H3