3-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C=C(N2)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C=C(N2)C(F)(F)F)C#N

InChI

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