5-[[3-[(4-bromophenyl)carbonylamino]phenyl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[3-[(4-bromophenyl)carbonylamino]phenyl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[3-[(4-bromobenzoyl)amino]benzoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[3-[[(4-bromophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[3-[(4-bromobenzoyl)amino]benzoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[3-[(4-bromobenzoyl)amino]benzoyl]amino]isophthalic acid Formula: C22H15BrN2O6 MolecularWeight: 483.2683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)Br)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H15BrN2O6/c23-16-6-4-12(5-7-16)19(26)24-17-3-1-2-13(9-17)20(27)25-18-10-14(21(28)29)8-15(11-18)22(30)31/h1-11H,(H,24,26)(H,25,27)(H,28,29)(H,30,31)