[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-phenyl] 2-(2-methylphenyl)ethaneperoxoate

Systemtic Name: [5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-phenyl] 2-(2-methylphenyl)ethaneperoxoate Openeye Name: [5-(1,3-benzodioxol-5-ylmethoxy)-2-cyano-phenyl] 2-(o-tolyl)peroxyacetate CAS Name: 2-(2-methylphenyl)ethaneperoxoic acid [5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenyl] ester IUPAC Name: [5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenyl] 2-(2-methylphenyl)ethaneperoxoate Traditional Name: 2-(o-tolyl)peracetic acid (2-cyano-5-piperonyloxy-phenyl) ester Formula: C24H19NO6 MolecularWeight: 417.41076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)OOC2=C(C=CC(=C2)OCC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=CC=CC=C1CC(=O)OOC2=C(C=CC(=C2)OCC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C24H19NO6/c1-16-4-2-3-5-18(16)11-24(26)31-30-22-12-20(8-7-19(22)13-25)27-14-17-6-9-21-23(10-17)29-15-28-21/h2-10,12H,11,14-15H2,1H3