(1-methyl-5-nitro-imidazol-2-yl)methyl benzenesulfonate

Systemtic Name: (1-methyl-5-nitro-imidazol-2-yl)methyl benzenesulfonate Openeye Name: (1-methyl-5-nitro-imidazol-2-yl)methyl benzenesulfonate CAS Name: benzenesulfonic acid (1-methyl-5-nitro-2-imidazolyl)methyl ester IUPAC Name: (1-methyl-5-nitroimidazol-2-yl)methyl benzenesulfonate Traditional Name: benzenesulfonic acid (1-methyl-5-nitro-imidazol-2-yl)methyl ester Formula: C11H11N3O5S MolecularWeight: 297.28714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O5S/c1-13-10(12-7-11(13)14(15)16)8-19-20(17,18)9-5-3-2-4-6-9/h2-7H,8H2,1H3