2-[2,6-bis(1,3-benzodioxol-5-yloxy)phenyl]ethanenitrile

Systemtic Name: 2-[2,6-bis(1,3-benzodioxol-5-yloxy)phenyl]ethanenitrile Openeye Name: 2-[2,6-bis(1,3-benzodioxol-5-yloxy)phenyl]acetonitrile CAS Name: 2-[2,6-bis(1,3-benzodioxol-5-yloxy)phenyl]acetonitrile IUPAC Name: 2-[2,6-bis(1,3-benzodioxol-5-yloxy)phenyl]acetonitrile Traditional Name: 2-[2,6-bis(1,3-benzodioxol-5-yloxy)phenyl]acetonitrile Formula: C22H15NO6 MolecularWeight: 389.3576

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC3=C(C(=CC=C3)OC4=CC5=C(C=C4)OCO5)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC3=C(C(=CC=C3)OC4=CC5=C(C=C4)OCO5)CC#N

InChI

InChI=1S/C22H15NO6/c23-9-8-16-17(28-14-4-6-19-21(10-14)26-12-24-19)2-1-3-18(16)29-15-5-7-20-22(11-15)27-13-25-20/h1-7,10-11H,8,12-13H2