methyl 4-(5-bromanyl-2-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl 4-(5-bromanyl-2-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-(5-bromo-2-hydroxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(5-bromo-2-hydroxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(5-bromo-2-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(5-bromo-2-hydroxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C13H13BrN2O4 MolecularWeight: 341.15732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=O)NC1=C)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

COC(=O)C1C(NC(=O)NC1=C)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C13H13BrN2O4/c1-6-10(12(18)20-2)11(16-13(19)15-6)8-5-7(14)3-4-9(8)17/h3-5,10-11,17H,1H2,2H3,(H2,15,16,19)