(5-aminocarbonyl-1H-imidazol-4-yl) 2-nitrobenzenesulfonate

Systemtic Name: (5-aminocarbonyl-1H-imidazol-4-yl) 2-nitrobenzenesulfonate Openeye Name: (5-carbamoyl-1H-imidazol-4-yl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (5-carbamoyl-1H-imidazol-4-yl) ester IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (5-carbamoyl-1H-imidazol-4-yl) ester Formula: C10H8N4O6S MolecularWeight: 312.25872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(NC=N2)C(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(NC=N2)C(=O)N

InChI

InChI=1S/C10H8N4O6S/c11-9(15)8-10(13-5-12-8)20-21(18,19)7-4-2-1-3-6(7)14(16)17/h1-5H,(H2,11,15)(H,12,13)