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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-nitro-imidazol-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-nitro-imidazol-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-nitro-4-imidazolamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-5-nitroimidazol-4-amine Traditional Name: (3-methyl-5-nitro-imidazol-4-yl)-piperonyl-amine Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4/c1-15-6-14-12(16(17)18)11(15)13-5-8-2-3-9-10(4-8)20-7-19-9/h2-4,6,13H,5,7H2,1H3