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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-nitro-imidazole Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-nitro-imidazole CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-nitroimidazole IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-nitroimidazole Traditional Name: 4-nitro-1-piperonyl-imidazole Formula: C11H9N3O4 MolecularWeight: 247.20686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4/c15-14(16)11-5-13(6-12-11)4-8-1-2-9-10(3-8)18-7-17-9/h1-3,5-6H,4,7H2