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

Systemtic Name: 2-(4-nitrophenyl)-1-[3-(3-nitrophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-(4-nitrophenyl)ethanone Formula: C18H13F3N4O6 MolecularWeight: 438.31423

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3N4O6/c19-18(20,21)17(27)10-15(12-2-1-3-14(9-12)25(30)31)22-23(17)16(26)8-11-4-6-13(7-5-11)24(28)29/h1-7,9,27H,8,10H2