2-[2-(3-bromanylphenoxy)ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-(3-bromanylphenoxy)ethanoylamino]terephthalic acid Openeye Name: 2-[[2-(3-bromophenoxy)acetyl]amino]terephthalic acid CAS Name: 2-[[2-(3-bromophenoxy)-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(3-bromophenoxy)acetyl]amino]terephthalic acid Traditional Name: 2-[[2-(3-bromophenoxy)acetyl]amino]terephthalic acid Formula: C16H12BrNO6 MolecularWeight: 394.17358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO6/c17-10-2-1-3-11(7-10)24-8-14(19)18-13-6-9(15(20)21)4-5-12(13)16(22)23/h1-7H,8H2,(H,18,19)(H,20,21)(H,22,23)