(3,3-dimethyl-2-oxidanylidene-butyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C18H22N2O3/c1-12-16(17(22)23-11-15(21)18(3,4)5)13(2)20(19-12)14-9-7-6-8-10-14/h6-10H,11H2,1-5H3