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

Systemtic Name: 2-[5-(4-nitrophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-1-phenylethanone IUPAC Name: 2-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-1-phenylethanone Traditional Name: 2-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]-1-phenyl-ethanone Formula: C18H14F3N3O4 MolecularWeight: 393.31667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O4/c19-18(20,21)16-10-17(26,13-6-8-14(9-7-13)24(27)28)23(22-16)11-15(25)12-4-2-1-3-5-12/h1-9,26H,10-11H2