4-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]benzonitrile CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]benzonitrile IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]benzonitrile Traditional Name: 4-(4-piperonyloxyphenyl)benzonitrile Formula: C21H15NO3 MolecularWeight: 329.3487

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H15NO3/c22-12-15-1-4-17(5-2-15)18-6-8-19(9-7-18)23-13-16-3-10-20-21(11-16)25-14-24-20/h1-11H,13-14H2