dimethyl 5-[[5-[(2-bromanylphenoxy)methyl]furan-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-[(2-bromanylphenoxy)methyl]furan-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[5-[(2-bromophenoxy)methyl]-2-furanyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-[(2-bromophenoxy)methyl]-2-furoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H18BrNO7 MolecularWeight: 488.28482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3Br)C(=O)OC

InChI

InChI=1S/C22H18BrNO7/c1-28-21(26)13-9-14(22(27)29-2)11-15(10-13)24-20(25)19-8-7-16(31-19)12-30-18-6-4-3-5-17(18)23/h3-11H,12H2,1-2H3,(H,24,25)