2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]terephthalic acid Formula: C18H16BrNO7 MolecularWeight: 438.22614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)Br)OC

InChI

InChI=1S/C18H16BrNO7/c1-26-14-6-10(12(19)8-15(14)27-2)7-16(21)20-13-5-9(17(22)23)3-4-11(13)18(24)25/h3-6,8H,7H2,1-2H3,(H,20,21)(H,22,23)(H,24,25)