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

Systemtic Name: ethyl 1-methyl-4-(5-nitrofuran-2-yl)-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 6-hydroxy-1-methyl-4-(5-nitro-2-furyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: 6-hydroxy-1-methyl-4-(5-nitro-2-furanyl)-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-1-methyl-4-(5-nitrofuran-2-yl)-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: 6-hydroxy-2-keto-1-methyl-4-(5-nitro-2-furyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H14F3N3O7 MolecularWeight: 381.26137

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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(O2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H14F3N3O7/c1-3-25-10(20)8-9(6-4-5-7(26-6)19(23)24)17-11(21)18(2)12(8,22)13(14,15)16/h4-5,8-9,22H,3H2,1-2H3,(H,17,21)