3-bromanyl-2-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyloxy)benzenecarbonitrile

Systemtic Name: 3-bromanyl-2-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyloxy)benzenecarbonitrile Openeye Name: 3-bromo-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethoxy)benzonitrile CAS Name: 3-bromo-2-[6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-5-(trifluoromethoxy)benzonitrile IUPAC Name: 3-bromo-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethoxy)benzonitrile Traditional Name: 3-bromo-2-[6-keto-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethoxy)benzonitrile Formula: C13H4BrF6N3O2 MolecularWeight: 428.084179

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)N2C=NC(=CC2=O)C(F)(F)F)C#N)OC(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Br)N2C=NC(=CC2=O)C(F)(F)F)C#N)OC(F)(F)F

InChI

InChI=1S/C13H4BrF6N3O2/c14-8-2-7(25-13(18,19)20)1-6(4-21)11(8)23-5-22-9(3-10(23)24)12(15,16)17/h1-3,5H