(2-methoxyphenyl) 3-methyl-5-nitro-imidazole-4-sulfonate

Systemtic Name: (2-methoxyphenyl) 3-methyl-5-nitro-imidazole-4-sulfonate Openeye Name: (2-methoxyphenyl) 3-methyl-5-nitro-imidazole-4-sulfonate CAS Name: 3-methyl-5-nitro-4-imidazolesulfonic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 3-methyl-5-nitroimidazole-4-sulfonate Traditional Name: 3-methyl-5-nitro-imidazole-4-sulfonic acid (2-methoxyphenyl) ester Formula: C11H11N3O6S MolecularWeight: 313.28654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1S(=O)(=O)OC2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1S(=O)(=O)OC2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O6S/c1-13-7-12-10(14(15)16)11(13)21(17,18)20-9-6-4-3-5-8(9)19-2/h3-7H,1-2H3