4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methyl-benzonitrile CAS Name: 4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methylbenzonitrile IUPAC Name: 4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methylbenzonitrile Traditional Name: 4-[2,4-diketo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methyl-benzonitrile Formula: C13H8F3N3O2 MolecularWeight: 295.21673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C=C(NC2=O)C(F)(F)F)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C=C(NC2=O)C(F)(F)F)C#N

InChI

InChI=1S/C13H8F3N3O2/c1-7-4-9(3-2-8(7)6-17)19-11(20)5-10(13(14,15)16)18-12(19)21/h2-5H,1H3,(H,18,21)