(2-azanylquinolin-8-yl) 4-nitrobenzenesulfonate

Systemtic Name: (2-azanylquinolin-8-yl) 4-nitrobenzenesulfonate Openeye Name: (2-amino-8-quinolyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-amino-8-quinolinyl) ester IUPAC Name: (2-aminoquinolin-8-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-amino-8-quinolyl) ester Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C(C=C2)N

Isomeric SMILES

C1=CC2=C(C(=C1)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C(C=C2)N

InChI

InChI=1S/C15H11N3O5S/c16-14-9-4-10-2-1-3-13(15(10)17-14)23-24(21,22)12-7-5-11(6-8-12)18(19)20/h1-9H,(H2,16,17)