4-[5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzenecarbonitrile Openeye Name: 4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzonitrile CAS Name: 4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzonitrile IUPAC Name: 4-[5-oxo-3-(trifluoromethyl)-4H-pyrazol-1-yl]benzonitrile Traditional Name: 4-[5-keto-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzonitrile Formula: C11H6F3N3O MolecularWeight: 253.18005

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)C#N)C(F)(F)F

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)C#N)C(F)(F)F

InChI

InChI=1S/C11H6F3N3O/c12-11(13,14)9-5-10(18)17(16-9)8-3-1-7(6-15)2-4-8/h1-4H,5H2