6-(4-methylphenyl)-2-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-olate

Systemtic Name: 6-(4-methylphenyl)-2-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-olate Openeye Name: 2-phenyl-6-(p-tolyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-olate CAS Name: 6-(4-methylphenyl)-2-phenyl-4-(trifluoromethyl)-3-pyrazolo[3,4-b]pyridinolate IUPAC Name: 6-(4-methylphenyl)-2-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-olate Traditional Name: 2-phenyl-6-(p-tolyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-olate Formula: C20H13F3N3O- MolecularWeight: 368.33193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=NN(C(=C3C(=C2)C(F)(F)F)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=NN(C(=C3C(=C2)C(F)(F)F)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H14F3N3O/c1-12-7-9-13(10-8-12)16-11-15(20(21,22)23)17-18(24-16)25-26(19(17)27)14-5-3-2-4-6-14/h2-11,27H,1H3/p-1