1-(1,3-benzodioxol-5-ylmethyl)-5-(chloromethyl)-4-nitro-imidazole

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(chloromethyl)-4-nitro-imidazole Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(chloromethyl)-4-nitro-imidazole CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(chloromethyl)-4-nitroimidazole IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-(chloromethyl)-4-nitroimidazole Traditional Name: 5-(chloromethyl)-4-nitro-1-piperonyl-imidazole Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=NC(=C3CCl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=NC(=C3CCl)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O4/c13-4-9-12(16(17)18)14-6-15(9)5-8-1-2-10-11(3-8)20-7-19-10/h1-3,6H,4-5,7H2