dimethyl 5-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(2-bromo-4,5-diethoxyphenyl)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(2-bromo-4,5-diethoxy-phenyl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H24BrNO7 MolecularWeight: 494.33246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)Br)OCC

InChI

InChI=1S/C22H24BrNO7/c1-5-30-18-10-13(17(23)12-19(18)31-6-2)11-20(25)24-16-8-14(21(26)28-3)7-15(9-16)22(27)29-4/h7-10,12H,5-6,11H2,1-4H3,(H,24,25)