3-[[4,5-diaminocarbonyl-2-[(3-carboxyphenyl)amino]phenyl]amino]benzoic acid

Systemtic Name: 3-[[4,5-diaminocarbonyl-2-[(3-carboxyphenyl)amino]phenyl]amino]benzoic acid Openeye Name: 3-[4,5-dicarbamoyl-2-(3-carboxyanilino)anilino]benzoic acid CAS Name: 3-[4,5-dicarbamoyl-2-(3-carboxyanilino)anilino]benzoic acid IUPAC Name: 3-[4,5-dicarbamoyl-2-(3-carboxyanilino)anilino]benzoic acid Traditional Name: 3-[4,5-dicarbamoyl-2-(3-carboxyanilino)anilino]benzoic acid Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=C(C(=C2)C(=O)N)C(=O)N)NC3=CC=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=C(C(=C2)C(=O)N)C(=O)N)NC3=CC=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H18N4O6/c23-19(27)15-9-17(25-13-5-1-3-11(7-13)21(29)30)18(10-16(15)20(24)28)26-14-6-2-4-12(8-14)22(31)32/h1-10,25-26H,(H2,23,27)(H2,24,28)(H,29,30)(H,31,32)