(3,3-dimethyl-2-oxidanylidene-butyl) 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C19H22N2O3/c1-19(2,3)17(22)12-24-18(23)16-11-15(13-9-10-13)20-21(16)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3