[5-(1,3-benzoxazol-6-ylmethoxy)-2-cyano-3-fluoranyl-phenyl] 2-(2-methylphenyl)ethaneperoxoate

Systemtic Name: [5-(1,3-benzoxazol-6-ylmethoxy)-2-cyano-3-fluoranyl-phenyl] 2-(2-methylphenyl)ethaneperoxoate Openeye Name: [5-(1,3-benzoxazol-6-ylmethoxy)-2-cyano-3-fluoro-phenyl] 2-(o-tolyl)peroxyacetate CAS Name: 2-(2-methylphenyl)ethaneperoxoic acid [5-(1,3-benzoxazol-6-ylmethoxy)-2-cyano-3-fluorophenyl] ester IUPAC Name: [5-(1,3-benzoxazol-6-ylmethoxy)-2-cyano-3-fluorophenyl] 2-(2-methylphenyl)ethaneperoxoate Traditional Name: 2-(o-tolyl)peracetic acid [5-(1,3-benzoxazol-6-ylmethoxy)-2-cyano-3-fluoro-phenyl] ester Formula: C24H17FN2O5 MolecularWeight: 432.400583

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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)N=CO4)F)C#N

Isomeric SMILES

CC1=CC=CC=C1CC(=O)OOC2=C(C(=CC(=C2)OCC3=CC4=C(C=C3)N=CO4)F)C#N

InChI

InChI=1S/C24H17FN2O5/c1-15-4-2-3-5-17(15)9-24(28)32-31-22-11-18(10-20(25)19(22)12-26)29-13-16-6-7-21-23(8-16)30-14-27-21/h2-8,10-11,14H,9,13H2,1H3