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

Systemtic Name: 1-[3-(4-fluorophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C18H13F4N3O4 MolecularWeight: 411.307133

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1C(=NN(C1(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H13F4N3O4/c19-13-5-3-12(4-6-13)15-10-17(27,18(20,21)22)24(23-15)16(26)9-11-1-7-14(8-2-11)25(28)29/h1-8,27H,9-10H2