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

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 4-(3-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2,2,2-trichloroethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-bromophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trichloroethyl ester Formula: C14H12BrCl3N2O3 MolecularWeight: 442.51968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrCl3N2O3/c1-7-10(12(21)23-6-14(16,17)18)11(20-13(22)19-7)8-3-2-4-9(15)5-8/h2-5,11H,6H2,1H3,(H2,19,20,22)