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

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-(4-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-(4-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-bromophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C14H12BrF3N2O3 MolecularWeight: 393.15589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Br)C(=O)OCC(F)(F)F

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Br)C(=O)OCC(F)(F)F

InChI

InChI=1S/C14H12BrF3N2O3/c1-7-10(12(21)23-6-14(16,17)18)11(20-13(22)19-7)8-2-4-9(15)5-3-8/h2-5,11H,6H2,1H3,(H2,19,20,22)