3-(1,3-benzodioxol-5-ylmethoxymethyl)benzenecarbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)benzenecarbonitrile Openeye Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)benzonitrile CAS Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)benzonitrile IUPAC Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)benzonitrile Traditional Name: 3-(piperonyloxymethyl)benzonitrile Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)COCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)COCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13NO3/c17-8-12-2-1-3-13(6-12)9-18-10-14-4-5-15-16(7-14)20-11-19-15/h1-7H,9-11H2