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

Systemtic Name: (4-nitrophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate Openeye Name: (4-nitrophenyl) 3-methyl-5-nitro-imidazole-4-sulfonate CAS Name: 3-methyl-5-nitro-4-imidazolesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-methyl-5-nitroimidazole-4-sulfonate Traditional Name: 3-methyl-5-nitro-imidazole-4-sulfonic acid (4-nitrophenyl) ester Formula: C10H8N4O7S MolecularWeight: 328.25812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N4O7S/c1-12-6-11-9(14(17)18)10(12)22(19,20)21-8-4-2-7(3-5-8)13(15)16/h2-6H,1H3