methyl 4-[5-(4-bromophenyl)carbonyl-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate

Systemtic Name: methyl 4-[5-(4-bromophenyl)carbonyl-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Openeye Name: methyl 4-[5-(4-bromobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[5-[(4-bromophenyl)-oxomethyl]-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-bromobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[5-(4-bromobenzoyl)-6-hydroxy-2-keto-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid methyl ester Formula: C20H16BrF3N2O5 MolecularWeight: 501.25065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrF3N2O5/c1-31-17(28)12-4-2-10(3-5-12)15-14(16(27)11-6-8-13(21)9-7-11)19(30,20(22,23)24)26-18(29)25-15/h2-9,14-15,30H,1H3,(H2,25,26,29)