5-[2-(2-bromanylphenoxy)propanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(2-bromanylphenoxy)propanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-(2-bromophenoxy)propanoylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(2-bromophenoxy)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-(2-bromophenoxy)propanoylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-(2-bromophenoxy)propanoylamino]isophthalic acid Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)OC2=CC=CC=C2Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)OC2=CC=CC=C2Br

InChI

InChI=1S/C17H14BrNO6/c1-9(25-14-5-3-2-4-13(14)18)15(20)19-12-7-10(16(21)22)6-11(8-12)17(23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H,23,24)