phenyl 3-methyl-5-nitro-imidazole-4-sulfonate

Systemtic Name: phenyl 3-methyl-5-nitro-imidazole-4-sulfonate Openeye Name: phenyl 3-methyl-5-nitro-imidazole-4-sulfonate CAS Name: 3-methyl-5-nitro-4-imidazolesulfonic acid phenyl ester IUPAC Name: phenyl 3-methyl-5-nitroimidazole-4-sulfonate Traditional Name: 3-methyl-5-nitro-imidazole-4-sulfonic acid phenyl ester Formula: C10H9N3O5S MolecularWeight: 283.26056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N3O5S/c1-12-7-11-9(13(14)15)10(12)19(16,17)18-8-5-3-2-4-6-8/h2-7H,1H3