(3,3-dimethyl-2-oxidanylidene-butyl) 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C18H23N3O3/c1-12(2)16-13(17(23)24-11-14(22)18(3,4)5)10-20-21(16)15-8-6-7-9-19-15/h6-10,12H,11H2,1-5H3