1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitro-imidazole

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitro-imidazole Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitro-imidazole CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitroimidazole IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5-nitroimidazole Traditional Name: 2-methyl-5-nitro-1-piperonyl-imidazole Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-8-13-5-12(15(16)17)14(8)6-9-2-3-10-11(4-9)19-7-18-10/h2-5H,6-7H2,1H3