3-imidazol-1-yl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]propan-1-amine

Systemtic Name: 3-imidazol-1-yl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]propan-1-amine Openeye Name: 3-imidazol-1-yl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]propan-1-amine CAS Name: 3-(1-imidazolyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1-propanamine IUPAC Name: 3-imidazol-1-yl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]propan-1-amine Traditional Name: 3-imidazol-1-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CNCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CNCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4/c19-18(20)12-7-14-13(21-10-22-14)6-11(12)8-15-2-1-4-17-5-3-16-9-17/h3,5-7,9,15H,1-2,4,8,10H2