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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-chloranyl-benzenecarbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-chloro-benzonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-chlorobenzonitrile Traditional Name: 2-chloro-5-(piperonylamino)benzonitrile Formula: C15H11ClN2O2 MolecularWeight: 286.71304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3)Cl)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C=C3)Cl)C#N

InChI

InChI=1S/C15H11ClN2O2/c16-13-3-2-12(6-11(13)7-17)18-8-10-1-4-14-15(5-10)20-9-19-14/h1-6,18H,8-9H2