(5-nitro-1H-imidazol-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (5-nitro-1H-imidazol-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-nitro-1H-imidazol-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-1H-imidazol-2-yl)methyl ester IUPAC Name: (5-nitro-1H-imidazol-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-nitro-1H-imidazol-2-yl)methyl ester Formula: C11H11N3O5S MolecularWeight: 297.28714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=C(N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC=C(N2)[N+](=O)[O-]

InChI

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