1-[5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C16H18F3N3O4 MolecularWeight: 373.32703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NN1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC(C)(C)C1(CC(=NN1C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C16H18F3N3O4/c1-14(2,3)15(24)9-12(16(17,18)19)20-21(15)13(23)8-10-4-6-11(7-5-10)22(25)26/h4-7,24H,8-9H2,1-3H3