oxiran-2-ylmethyl 5-[2-cyano-6-fluoranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: oxiran-2-ylmethyl 5-[2-cyano-6-fluoranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: oxiran-2-ylmethyl 5-[2-cyano-6-fluoro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-cyano-6-fluoro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-oxiranylmethyl ester IUPAC Name: oxiran-2-ylmethyl 5-[2-cyano-6-fluoro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-cyano-6-fluoro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid glycidyl ester Formula: C18H10F4N2O6 MolecularWeight: 426.275413

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)COC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3C#N)C(F)(F)F)F)[N+](=O)[O-]

Isomeric SMILES

C1C(O1)COC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3C#N)C(F)(F)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H10F4N2O6/c19-14-4-10(18(20,21)22)3-9(6-23)16(14)30-11-1-2-15(24(26)27)13(5-11)17(25)29-8-12-7-28-12/h1-5,12H,7-8H2