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

Systemtic Name: (1-methyl-5-nitro-imidazol-2-yl)methyl 2-methylbenzenesulfonate Openeye Name: (1-methyl-5-nitro-imidazol-2-yl)methyl 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid (1-methyl-5-nitro-2-imidazolyl)methyl ester IUPAC Name: (1-methyl-5-nitroimidazol-2-yl)methyl 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid (1-methyl-5-nitro-imidazol-2-yl)methyl ester Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)OCC2=NC=C(N2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)OCC2=NC=C(N2C)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-9-5-3-4-6-10(9)21(18,19)20-8-11-13-7-12(14(11)2)15(16)17/h3-7H,8H2,1-2H3