(1-ethyl-5-nitro-imidazol-2-yl)methyl 2-methylbenzenesulfonate

Systemtic Name: (1-ethyl-5-nitro-imidazol-2-yl)methyl 2-methylbenzenesulfonate Openeye Name: (1-ethyl-5-nitro-imidazol-2-yl)methyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (1-ethyl-5-nitro-2-imidazolyl)methyl ester IUPAC Name: (1-ethyl-5-nitroimidazol-2-yl)methyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (1-ethyl-5-nitro-imidazol-2-yl)methyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1COS(=O)(=O)C2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CN=C1COS(=O)(=O)C2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c1-3-15-12(14-8-13(15)16(17)18)9-21-22(19,20)11-7-5-4-6-10(11)2/h4-8H,3,9H2,1-2H3