2,2,2-tris(chloranyl)ethyl 4-(4-bromophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=C(C=C2)Br)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC=C(C=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)8-2-4-9(15)5-3-8/h2-5,10-11H,1,6H2,(H2,19,20,22)