(4-cyano-3-fluoranyl-phenyl) 2-fluoranyl-4-(2-fluoranyl-4-methoxy-phenyl)benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 2-fluoranyl-4-(2-fluoranyl-4-methoxy-phenyl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 2-fluoro-4-(2-fluoro-4-methoxy-phenyl)benzoate CAS Name: 2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzoate Traditional Name: 2-fluoro-4-(2-fluoro-4-methoxy-phenyl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C21H12F3NO3 MolecularWeight: 383.32009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)F)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)F)F

InChI

InChI=1S/C21H12F3NO3/c1-27-14-5-7-16(20(24)9-14)12-3-6-17(19(23)8-12)21(26)28-15-4-2-13(11-25)18(22)10-15/h2-10H,1H3