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

Systemtic Name: ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-keto-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H17F3N2O6 MolecularWeight: 390.31119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H17F3N2O6/c1-2-25-13(22)11-12(20-14(23)21-15(11,24)16(17,18)19)8-3-4-9-10(7-8)27-6-5-26-9/h3-4,7,11-12,24H,2,5-6H2,1H3,(H2,20,21,23)