3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-fluoro-benzonitrile CAS Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-fluorobenzonitrile IUPAC Name: 3-(1,3-benzodioxol-5-ylmethoxymethyl)-4-fluorobenzonitrile Traditional Name: 4-fluoro-3-(piperonyloxymethyl)benzonitrile Formula: C16H12FNO3 MolecularWeight: 285.269783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12FNO3/c17-14-3-1-11(7-18)5-13(14)9-19-8-12-2-4-15-16(6-12)21-10-20-15/h1-6H,8-10H2