2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-7-olate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-7-olate Openeye Name: 2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-7-olate CAS Name: 2-[3-(trifluoromethyl)phenyl]-7-pyrazolo[3,4-d]pyridazinolate IUPAC Name: 2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-7-olate Traditional Name: 2-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-7-olate Formula: C12H6F3N4O- MolecularWeight: 279.19745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=C3C=NN=C(C3=N2)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C=C3C=NN=C(C3=N2)[O-])C(F)(F)F

InChI

InChI=1S/C12H7F3N4O/c13-12(14,15)8-2-1-3-9(4-8)19-6-7-5-16-17-11(20)10(7)18-19/h1-6H,(H,17,20)/p-1