4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[3-methyl-5-(trifluoromethyl)pyrazole-1-carbonyl]benzonitrile CAS Name: 4-[[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]-oxomethyl]benzonitrile IUPAC Name: 4-[3-methyl-5-(trifluoromethyl)pyrazole-1-carbonyl]benzonitrile Traditional Name: 4-[3-methyl-5-(trifluoromethyl)pyrazole-1-carbonyl]benzonitrile Formula: C13H8F3N3O MolecularWeight: 279.21733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(F)(F)F)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=NN(C(=C1)C(F)(F)F)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H8F3N3O/c1-8-6-11(13(14,15)16)19(18-8)12(20)10-4-2-9(7-17)3-5-10/h2-6H,1H3