N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethyl-5-nitro-imidazol-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethyl-5-nitro-imidazol-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethyl-5-nitro-imidazol-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethyl-5-nitro-4-imidazolamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethyl-5-nitroimidazol-4-amine Traditional Name: methyl-(3-methyl-5-nitro-imidazol-4-yl)-piperonyl-amine Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N(C)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N(C)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c1-15(13-12(17(18)19)14-7-16(13)2)6-9-3-4-10-11(5-9)21-8-20-10/h3-5,7H,6,8H2,1-2H3