2-[[4-[(3-carboxyquinoxalin-2-yl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(3-carboxyquinoxalin-2-yl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(3-carboxyquinoxalin-2-yl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(3-carboxy-2-quinoxalinyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(3-carboxyquinoxalin-2-yl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(3-carboxyquinoxalin-2-yl)amino]benzoyl]amino]glutaric acid Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H18N4O7/c26-16(27)10-9-15(20(29)30)25-19(28)11-5-7-12(8-6-11)22-18-17(21(31)32)23-13-3-1-2-4-14(13)24-18/h1-8,15H,9-10H2,(H,22,24)(H,25,28)(H,26,27)(H,29,30)(H,31,32)