(1-methyl-5-nitro-imidazol-2-yl)methyl pyridine-3-sulfonate

Systemtic Name: (1-methyl-5-nitro-imidazol-2-yl)methyl pyridine-3-sulfonate Openeye Name: (1-methyl-5-nitro-imidazol-2-yl)methyl pyridine-3-sulfonate CAS Name: 3-pyridinesulfonic acid (1-methyl-5-nitro-2-imidazolyl)methyl ester IUPAC Name: (1-methyl-5-nitroimidazol-2-yl)methyl pyridine-3-sulfonate Traditional Name: pyridine-3-sulfonic acid (1-methyl-5-nitro-imidazol-2-yl)methyl ester Formula: C10H10N4O5S MolecularWeight: 298.2752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COS(=O)(=O)C2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1COS(=O)(=O)C2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O5S/c1-13-9(12-6-10(13)14(15)16)7-19-20(17,18)8-3-2-4-11-5-8/h2-6H,7H2,1H3