4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[3-[(3-nitrophenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[3-[(3-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoic acid Formula: C21H15N5O7S MolecularWeight: 481.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])NC4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C21H15N5O7S/c27-18-10-12(8-9-15(18)21(28)29)22-19-20(24-17-7-2-1-6-16(17)23-19)25-34(32,33)14-5-3-4-13(11-14)26(30)31/h1-11,27H,(H,22,23)(H,24,25)(H,28,29)