(4-nitrophenyl) benzimidazole-1-sulfonate

Systemtic Name: (4-nitrophenyl) benzimidazole-1-sulfonate Openeye Name: (4-nitrophenyl) benzimidazole-1-sulfonate CAS Name: 1-benzimidazolesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) benzimidazole-1-sulfonate Traditional Name: benzimidazole-1-sulfonic acid (4-nitrophenyl) ester Formula: C13H9N3O5S MolecularWeight: 319.29266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5S/c17-16(18)10-5-7-11(8-6-10)21-22(19,20)15-9-14-12-3-1-2-4-13(12)15/h1-9H