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

Systemtic Name: (4-quinoxalin-2-ylphenyl) 4-nitrobenzenesulfonate Openeye Name: (4-quinoxalin-2-ylphenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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