2,2,2-tris(fluoranyl)ethyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C15H14BrF3N2O5 MolecularWeight: 439.18127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC(F)(F)F)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC(F)(F)F)Br)O

InChI

InChI=1S/C15H14BrF3N2O5/c1-6-10(13(23)26-5-15(17,18)19)11(21-14(24)20-6)7-3-8(16)12(22)9(4-7)25-2/h3-4,10-11,22H,1,5H2,2H3,(H2,20,21,24)