3-chloranyl-2-[6-oxidanylidene-5-prop-2-enyl-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 3-chloranyl-2-[6-oxidanylidene-5-prop-2-enyl-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[5-allyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-3-chloro-5-(trifluoromethyl)benzonitrile CAS Name: 3-chloro-2-[6-oxo-5-prop-2-enyl-4-(trifluoromethyl)-1-pyrimidinyl]-5-(trifluoromethyl)benzonitrile IUPAC Name: 3-chloro-2-[6-oxo-5-prop-2-enyl-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[5-allyl-6-keto-4-(trifluoromethyl)pyrimidin-1-yl]-3-chloro-5-(trifluoromethyl)benzonitrile Formula: C16H8ClF6N3O MolecularWeight: 407.697639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N=CN(C1=O)C2=C(C=C(C=C2C#N)C(F)(F)F)Cl)C(F)(F)F

Isomeric SMILES

C=CCC1=C(N=CN(C1=O)C2=C(C=C(C=C2C#N)C(F)(F)F)Cl)C(F)(F)F

InChI

InChI=1S/C16H8ClF6N3O/c1-2-3-10-13(16(21,22)23)25-7-26(14(10)27)12-8(6-24)4-9(5-11(12)17)15(18,19)20/h2,4-5,7H,1,3H2