2,2,2-tris(fluoranyl)ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C15H13F3N2O5 MolecularWeight: 358.26933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCC(F)(F)F

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCC(F)(F)F

InChI

InChI=1S/C15H13F3N2O5/c1-7-11(13(21)23-5-15(16,17)18)12(20-14(22)19-7)8-2-3-9-10(4-8)25-6-24-9/h2-4,12H,5-6H2,1H3,(H2,19,20,22)