4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyloxy)phenyl]pyrazol-3-olate

Systemtic Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyloxy)phenyl]pyrazol-3-olate Openeye Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-olate CAS Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethoxy)phenyl]-3-pyrazololate IUPAC Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-olate Traditional Name: 4-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-olate Formula: C12H7F3N5O2- MolecularWeight: 310.21149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C=N2)N3C=NC=N3)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C=N2)N3C=NC=N3)[O-])OC(F)(F)F

InChI

InChI=1S/C12H8F3N5O2/c13-12(14,15)22-9-3-1-8(2-4-9)20-11(21)10(5-17-20)19-7-16-6-18-19/h1-7,21H/p-1