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

Systemtic Name: methyl 5-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-cyano-benzoate Openeye Name: methyl 2-cyano-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzoate CAS Name: 2-cyano-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzoic acid methyl ester IUPAC Name: methyl 2-cyano-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzoate Traditional Name: 2-cyano-5-[2,4-diketo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzoic acid methyl ester Formula: C14H8F3N3O4 MolecularWeight: 339.22623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8F3N3O4/c1-24-12(22)9-4-8(3-2-7(9)6-18)20-11(21)5-10(14(15,16)17)19-13(20)23/h2-5H,1H3,(H,19,23)