methyl 4-[5-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzoate

Systemtic Name: methyl 4-[5-[(3-bromanyl-4,5-dimethoxy-phenyl)methylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzoate Openeye Name: methyl 4-[5-[(3-bromo-4,5-dimethoxy-phenyl)methylene]-2,4,6-trioxo-hexahydropyrimidin-1-yl]benzoate CAS Name: 4-[5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate Traditional Name: 4-[5-(3-bromo-4,5-dimethoxy-benzylidene)-2,4,6-triketo-hexahydropyrimidin-1-yl]benzoic acid methyl ester Formula: C21H17BrN2O7 MolecularWeight: 489.27288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)Br)OC

InChI

InChI=1S/C21H17BrN2O7/c1-29-16-10-11(9-15(22)17(16)30-2)8-14-18(25)23-21(28)24(19(14)26)13-6-4-12(5-7-13)20(27)31-3/h4-10H,1-3H3,(H,23,25,28)