3-[[3-[(4-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate

Systemtic Name: 3-[[3-[(4-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Openeye Name: 3-[[3-[(4-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate CAS Name: 3-[[3-[(4-nitrophenyl)sulfonylamino]-2-quinoxalinyl]amino]benzoate IUPAC Name: 3-[[3-[(4-nitrophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate Traditional Name: 3-[[3-(nosylamino)quinoxalin-2-yl]amino]benzoate Formula: C21H14N5O6S- MolecularWeight: 464.43076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O6S/c27-21(28)13-4-3-5-14(12-13)22-19-20(24-18-7-2-1-6-17(18)23-19)25-33(31,32)16-10-8-15(9-11-16)26(29)30/h1-12H,(H,22,23)(H,24,25)(H,27,28)/p-1