5-methyl-2-phenyl-4-[(E)-N-(pyridin-4-ylcarbonylamino)-C-(trifluoromethyl)carbonimidoyl]pyrazol-3-olate

Systemtic Name: 5-methyl-2-phenyl-4-[(E)-N-(pyridin-4-ylcarbonylamino)-C-(trifluoromethyl)carbonimidoyl]pyrazol-3-olate Openeye Name: 5-methyl-2-phenyl-4-[(E)-N-(pyridine-4-carbonylamino)-C-(trifluoromethyl)carbonimidoyl]pyrazol-3-olate CAS Name: 5-methyl-2-phenyl-4-[(1E)-2,2,2-trifluoro-1-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]ethyl]-3-pyrazololate IUPAC Name: 5-methyl-2-phenyl-4-[(E)-N-(pyridine-4-carbonylamino)-C-(trifluoromethyl)carbonimidoyl]pyrazol-3-olate Traditional Name: 4-[(E)-N-isonicotinamido-C-(trifluoromethyl)carbonimidoyl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C18H13F3N5O2- MolecularWeight: 388.32333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=NNC(=O)C2=CC=NC=C2)C(F)(F)F)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C(=N\NC(=O)C2=CC=NC=C2)/C(F)(F)F)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H14F3N5O2/c1-11-14(17(28)26(25-11)13-5-3-2-4-6-13)15(18(19,20)21)23-24-16(27)12-7-9-22-10-8-12/h2-10,28H,1H3,(H,24,27)/p-1/b23-15+