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

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

Click to see the large picture

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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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