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

Systemtic Name: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methoxy-benzenecarbonitrile Openeye Name: 4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methoxy-benzonitrile CAS Name: 4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methoxybenzonitrile IUPAC Name: 4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methoxybenzonitrile Traditional Name: 4-[2,4-diketo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-methoxy-benzonitrile Formula: C13H8F3N3O3 MolecularWeight: 311.21613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2C(=O)C=C(NC2=O)C(F)(F)F)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)N2C(=O)C=C(NC2=O)C(F)(F)F)C#N

InChI

InChI=1S/C13H8F3N3O3/c1-22-9-4-8(3-2-7(9)6-17)19-11(20)5-10(13(14,15)16)18-12(19)21/h2-5H,1H3,(H,18,21)