4-[2-(1,3-benzodioxol-5-yloxy)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yloxy)ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(1,3-benzodioxol-5-yloxy)acetyl]benzonitrile CAS Name: 4-[2-(1,3-benzodioxol-5-yloxy)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(1,3-benzodioxol-5-yloxy)acetyl]benzonitrile Traditional Name: 4-[2-(1,3-benzodioxol-5-yloxy)acetyl]benzonitrile Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11NO4/c17-8-11-1-3-12(4-2-11)14(18)9-19-13-5-6-15-16(7-13)21-10-20-15/h1-7H,9-10H2