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

Systemtic Name: ethyl 1-methyl-4-(4-nitrophenyl)-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 6-hydroxy-1-methyl-4-(4-nitrophenyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: 6-hydroxy-1-methyl-4-(4-nitrophenyl)-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-1-methyl-4-(4-nitrophenyl)-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: 6-hydroxy-2-keto-1-methyl-4-(4-nitrophenyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H16F3N3O6 MolecularWeight: 391.29925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16F3N3O6/c1-3-27-12(22)10-11(8-4-6-9(7-5-8)21(25)26)19-13(23)20(2)14(10,24)15(16,17)18/h4-7,10-11,24H,3H2,1-2H3,(H,19,23)