(4-quinoxalin-2-ylphenyl) 2-nitrobenzenesulfonate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 2-nitrobenzenesulfonate Openeye Name: (4-quinoxalin-2-ylphenyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (4-quinoxalin-2-ylphenyl) ester Formula: C20H13N3O5S MolecularWeight: 407.39932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O5S/c24-23(25)19-7-3-4-8-20(19)29(26,27)28-15-11-9-14(10-12-15)18-13-21-16-5-1-2-6-17(16)22-18/h1-13H