1-(2,4-dinitrophenyl)-5-[[2-(2,4-dinitrophenyl)-5-phenyl-pyrazol-3-yl]-bis(fluoranyl)methyl]-3-phenyl-pyrazole

Systemtic Name: 1-(2,4-dinitrophenyl)-5-[[2-(2,4-dinitrophenyl)-5-phenyl-pyrazol-3-yl]-bis(fluoranyl)methyl]-3-phenyl-pyrazole Openeye Name: 1-(2,4-dinitrophenyl)-5-[[2-(2,4-dinitrophenyl)-5-phenyl-pyrazol-3-yl]-difluoro-methyl]-3-phenyl-pyrazole CAS Name: 1-(2,4-dinitrophenyl)-5-[[2-(2,4-dinitrophenyl)-5-phenyl-3-pyrazolyl]-difluoromethyl]-3-phenylpyrazole IUPAC Name: 1-(2,4-dinitrophenyl)-5-[[2-(2,4-dinitrophenyl)-5-phenylpyrazol-3-yl]-difluoromethyl]-3-phenylpyrazole Traditional Name: 1-(2,4-dinitrophenyl)-5-[[2-(2,4-dinitrophenyl)-5-phenyl-pyrazol-3-yl]-difluoro-methyl]-3-phenyl-pyrazole Formula: C31H18F2N8O8 MolecularWeight: 668.520226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(C3=CC(=NN3C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5)(F)F)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(C3=CC(=NN3C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5)(F)F)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C31H18F2N8O8/c32-31(33,29-17-23(19-7-3-1-4-8-19)34-36(29)25-13-11-21(38(42)43)15-27(25)40(46)47)30-18-24(20-9-5-2-6-10-20)35-37(30)26-14-12-22(39(44)45)16-28(26)41(48)49/h1-18H