(4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate

Systemtic Name: (4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate Openeye Name: (4-chlorophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate CAS Name: 3-methyl-5-nitro-4-imidazolesulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate Traditional Name: 3-methyl-5-nitro-imidazole-4-sulfonic acid (4-chlorophenyl) ester Formula: C10H8ClN3O5S MolecularWeight: 317.70562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H8ClN3O5S/c1-13-6-12-9(14(15)16)10(13)20(17,18)19-8-4-2-7(11)3-5-8/h2-6H,1H3