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

Systemtic Name: ethyl 6-(4-cyanophenyl)-4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 6-(4-cyanophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: 6-(4-cyanophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-cyanophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: 6-(4-cyanophenyl)-4-hydroxy-2-keto-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H14F3N3O4 MolecularWeight: 357.28457

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H14F3N3O4/c1-2-25-12(22)10-11(9-5-3-8(7-19)4-6-9)20-13(23)21-14(10,24)15(16,17)18/h3-6,10-11,24H,2H2,1H3,(H2,20,21,23)