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

Systemtic Name: [5-tert-butyl-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C15H16F3N3O4 MolecularWeight: 359.30045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16F3N3O4/c1-13(2,3)14(23)8-11(15(16,17)18)19-20(14)12(22)9-5-4-6-10(7-9)21(24)25/h4-7,23H,8H2,1-3H3