4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-benzenecarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-benzonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxybenzonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxybenzonitrile Traditional Name: 3-methoxy-4-piperonyloxy-benzonitrile Formula: C16H13NO4 MolecularWeight: 283.27872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13NO4/c1-18-15-6-11(8-17)2-4-13(15)19-9-12-3-5-14-16(7-12)21-10-20-14/h2-7H,9-10H2,1H3