[3-(dimethylamino)phenyl] 3-methyl-5-nitro-imidazole-4-sulfonate

Systemtic Name: [3-(dimethylamino)phenyl] 3-methyl-5-nitro-imidazole-4-sulfonate Openeye Name: [3-(dimethylamino)phenyl] 3-methyl-5-nitro-imidazole-4-sulfonate CAS Name: 3-methyl-5-nitro-4-imidazolesulfonic acid [3-(dimethylamino)phenyl] ester IUPAC Name: [3-(dimethylamino)phenyl] 3-methyl-5-nitroimidazole-4-sulfonate Traditional Name: 3-methyl-5-nitro-imidazole-4-sulfonic acid [3-(dimethylamino)phenyl] ester Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1S(=O)(=O)OC2=CC=CC(=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1S(=O)(=O)OC2=CC=CC(=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5S/c1-14(2)9-5-4-6-10(7-9)21-22(19,20)12-11(16(17)18)13-8-15(12)3/h4-8H,1-3H3