(E)-N1'-(1,3-benzodioxol-5-yl)-N1-(3-imidazol-1-ylpropyl)-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1'-(1,3-benzodioxol-5-yl)-N1-(3-imidazol-1-ylpropyl)-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1'-(1,3-benzodioxol-5-yl)-N1-(3-imidazol-1-ylpropyl)-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1'-(1,3-benzodioxol-5-yl)-N1-[3-(1-imidazolyl)propyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N'-(1,3-benzodioxol-5-yl)-1-N-(3-imidazol-1-ylpropyl)-2-nitroethene-1,1-diamine Traditional Name: 1,3-benzodioxol-5-yl-[(E)-1-(3-imidazol-1-ylpropylamino)-2-nitro-vinyl]amine Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=C[N+](=O)[O-])NCCCN3C=CN=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N/C(=C/[N+](=O)[O-])/NCCCN3C=CN=C3

InChI

InChI=1S/C15H17N5O4/c21-20(22)9-15(17-4-1-6-19-7-5-16-10-19)18-12-2-3-13-14(8-12)24-11-23-13/h2-3,5,7-10,17-18H,1,4,6,11H2/b15-9+