[3-chloranyl-2-cyano-5-(pyridin-4-ylmethoxy)phenyl] 2-(2-chlorophenyl)ethaneperoxoate

Systemtic Name: [3-chloranyl-2-cyano-5-(pyridin-4-ylmethoxy)phenyl] 2-(2-chlorophenyl)ethaneperoxoate Openeye Name: [3-chloro-2-cyano-5-(4-pyridylmethoxy)phenyl] 2-(2-chlorophenyl)peroxyacetate CAS Name: 2-(2-chlorophenyl)ethaneperoxoic acid [3-chloro-2-cyano-5-(pyridin-4-ylmethoxy)phenyl] ester IUPAC Name: [3-chloro-2-cyano-5-(pyridin-4-ylmethoxy)phenyl] 2-(2-chlorophenyl)ethaneperoxoate Traditional Name: 2-(2-chlorophenyl)peracetic acid [3-chloro-2-cyano-5-(4-pyridylmethoxy)phenyl] ester Formula: C21H14Cl2N2O4 MolecularWeight: 429.25286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14Cl2N2O4/c22-18-4-2-1-3-15(18)9-21(26)29-28-20-11-16(10-19(23)17(20)12-24)27-13-14-5-7-25-8-6-14/h1-8,10-11H,9,13H2