4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-chloranyl-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-chloranyl-2-methyl-benzenecarbonitrile Openeye Name: 5-chloro-4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methyl-benzonitrile CAS Name: 5-chloro-4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methylbenzonitrile IUPAC Name: 5-chloro-4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methylbenzonitrile Traditional Name: 5-chloro-4-[2,4-diketo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methyl-benzonitrile Formula: C13H7ClF3N3O2 MolecularWeight: 329.66179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)Cl)N2C(=O)C=C(NC2=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1C#N)Cl)N2C(=O)C=C(NC2=O)C(F)(F)F

InChI

InChI=1S/C13H7ClF3N3O2/c1-6-2-9(8(14)3-7(6)5-18)20-11(21)4-10(13(15,16)17)19-12(20)22/h2-4H,1H3,(H,19,22)