2-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propanedinitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propanedinitrile Traditional Name: 2-[(3-keto-5-methyl-2-pyrazolin-4-yl)-[4-(trifluoromethyl)phenyl]methyl]malononitrile Formula: C15H11F3N4O MolecularWeight: 320.26925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1C(C2=CC=C(C=C2)C(F)(F)F)C(C#N)C#N

Isomeric SMILES

CC1=NNC(=O)C1C(C2=CC=C(C=C2)C(F)(F)F)C(C#N)C#N

InChI

InChI=1S/C15H11F3N4O/c1-8-12(14(23)22-21-8)13(10(6-19)7-20)9-2-4-11(5-3-9)15(16,17)18/h2-5,10,12-13H,1H3,(H,22,23)