[4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-dihydropyrimidin-5-yl] hydrogen carbonate

Systemtic Name: [4-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)-1,3-dihydropyrimidin-5-yl] hydrogen carbonate Openeye Name: [4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-dihydropyrimidin-5-yl] hydrogen carbonate CAS Name: carbonic acid [4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-dihydropyrimidin-5-yl] ester IUPAC Name: [4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-dihydropyrimidin-5-yl] hydrogen carbonate Traditional Name: carbonic acid [4-hydroxy-2-keto-4-(trifluoromethyl)-1,3-dihydropyrimidin-5-yl] ester Formula: C6H5F3N2O5 MolecularWeight: 242.10951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(NC(=O)N1)(C(F)(F)F)O)OC(=O)O

Isomeric SMILES

C1=C(C(NC(=O)N1)(C(F)(F)F)O)OC(=O)O

InChI

InChI=1S/C6H5F3N2O5/c7-6(8,9)5(15)2(16-4(13)14)1-10-3(12)11-5/h1,15H,(H,13,14)(H2,10,11,12)