2-[[1-methyl-5-oxidanylidene-3-(trifluoromethyl)pyrazol-4-ylidene]methylamino]benzenecarbonitrile

Systemtic Name: 2-[[1-methyl-5-oxidanylidene-3-(trifluoromethyl)pyrazol-4-ylidene]methylamino]benzenecarbonitrile Openeye Name: 2-[[1-methyl-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methylamino]benzonitrile CAS Name: 2-[[1-methyl-5-oxo-3-(trifluoromethyl)-4-pyrazolylidene]methylamino]benzonitrile IUPAC Name: 2-[[1-methyl-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]methylamino]benzonitrile Traditional Name: 2-[[5-keto-1-methyl-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methylamino]benzonitrile Formula: C13H9F3N4O MolecularWeight: 294.23197

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CNC2=CC=CC=C2C#N)C(=N1)C(F)(F)F

Isomeric SMILES

CN1C(=O)C(=CNC2=CC=CC=C2C#N)C(=N1)C(F)(F)F

InChI

InChI=1S/C13H9F3N4O/c1-20-12(21)9(11(19-20)13(14,15)16)7-18-10-5-3-2-4-8(10)6-17/h2-5,7,18H,1H3