2-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-benzonitrile CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-5-nitrobenzonitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(piperonylamino)benzonitrile Formula: C15H11N3O4 MolecularWeight: 297.26554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H11N3O4/c16-7-11-6-12(18(19)20)2-3-13(11)17-8-10-1-4-14-15(5-10)22-9-21-14/h1-6,17H,8-9H2