4-cyano-3-fluoranyl-2-[4-[(E)-2-fluoranylbut-1-enyl]phenyl]benzoate

Systemtic Name: 4-cyano-3-fluoranyl-2-[4-[(E)-2-fluoranylbut-1-enyl]phenyl]benzoate Openeye Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorobut-1-enyl]phenyl]benzoate CAS Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorobut-1-enyl]phenyl]benzoate IUPAC Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorobut-1-enyl]phenyl]benzoate Traditional Name: 4-cyano-3-fluoro-2-[4-[(E)-2-fluorobut-1-enyl]phenyl]benzoate Formula: C18H12F2NO2- MolecularWeight: 312.290186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=C(C=C1)C2=C(C=CC(=C2F)C#N)C(=O)[O-])F

Isomeric SMILES

CC/C(=C\C1=CC=C(C=C1)C2=C(C=CC(=C2F)C#N)C(=O)[O-])/F

InChI

InChI=1S/C18H13F2NO2/c1-2-14(19)9-11-3-5-12(6-4-11)16-15(18(22)23)8-7-13(10-21)17(16)20/h3-9H,2H2,1H3,(H,22,23)/p-1/b14-9+