[3-(pyridin-3-ylmethoxy)phenyl] 2-cyano-2-phenyl-ethaneperoxoate

Systemtic Name: [3-(pyridin-3-ylmethoxy)phenyl] 2-cyano-2-phenyl-ethaneperoxoate Openeye Name: [3-(3-pyridylmethoxy)phenyl] 2-cyano-2-phenyl-peroxyacetate CAS Name: 2-cyano-2-phenylethaneperoxoic acid [3-(3-pyridinylmethoxy)phenyl] ester IUPAC Name: [3-(pyridin-3-ylmethoxy)phenyl] 2-cyano-2-phenylethaneperoxoate Traditional Name: 2-cyano-2-phenyl-peracetic acid [3-(3-pyridylmethoxy)phenyl] ester Formula: C21H16N2O4 MolecularWeight: 360.36274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C21H16N2O4/c22-13-20(17-7-2-1-3-8-17)21(24)27-26-19-10-4-9-18(12-19)25-15-16-6-5-11-23-14-16/h1-12,14,20H,15H2