2-tert-butyl-5-(trifluoromethyl)pyrazole-3,4-dione

Systemtic Name: 2-tert-butyl-5-(trifluoromethyl)pyrazole-3,4-dione Openeye Name: 2-tert-butyl-5-(trifluoromethyl)pyrazole-3,4-dione CAS Name: 2-tert-butyl-5-(trifluoromethyl)pyrazole-3,4-dione IUPAC Name: 2-tert-butyl-5-(trifluoromethyl)pyrazole-3,4-dione Traditional Name: 2-tert-butyl-5-(trifluoromethyl)-2-pyrazoline-3,4-quinone Formula: C8H9F3N2O2 MolecularWeight: 222.16447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=O)C(=N1)C(F)(F)F

Isomeric SMILES

CC(C)(C)N1C(=O)C(=O)C(=N1)C(F)(F)F

InChI

InChI=1S/C8H9F3N2O2/c1-7(2,3)13-6(15)4(14)5(12-13)8(9,10)11/h1-3H3