[3-(2-methylpropyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16F3N3O4/c1-9(2)7-11-8-14(23,15(16,17)18)20(19-11)13(22)10-3-5-12(6-4-10)21(24)25/h3-6,9,23H,7-8H2,1-2H3