[3-tert-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone

Systemtic Name: [3-tert-butyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Openeye Name: [3-tert-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone CAS Name: [3-tert-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone IUPAC Name: [3-tert-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Traditional Name: [3-tert-butyl-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(4-iodophenyl)methanone Formula: C15H16F3IN2O2 MolecularWeight: 440.19942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC(C)(C)C1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C15H16F3IN2O2/c1-13(2,3)11-8-14(23,15(16,17)18)21(20-11)12(22)9-4-6-10(19)7-5-9/h4-7,23H,8H2,1-3H3