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

Systemtic Name: 1-[5-(4-nitrophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]-2-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)C(=O)CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1C(=NN(C1(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)CC3=CC=CC=C3)C(F)(F)F

InChI

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