ethyl 6-(4-bromophenyl)-4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 6-(4-bromophenyl)-4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 6-(4-bromophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: 6-(4-bromophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-bromophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: 6-(4-bromophenyl)-4-hydroxy-2-keto-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H14BrF3N2O4 MolecularWeight: 411.17117

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H14BrF3N2O4/c1-2-24-11(21)9-10(7-3-5-8(15)6-4-7)19-12(22)20-13(9,23)14(16,17)18/h3-6,9-10,23H,2H2,1H3,(H2,19,20,22)