2-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]ethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]acetonitrile CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)phenyl]acetonitrile Traditional Name: 2-(4-piperonylphenyl)acetonitrile Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C16H13NO2/c17-8-7-12-1-3-13(4-2-12)9-14-5-6-15-16(10-14)19-11-18-15/h1-6,10H,7,9,11H2