2-[3-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: 2-[3-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 2-[3-[(E)-2-cyano-2-(4-fluorophenyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 2-[3-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 2-[3-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 2-[3-[(E)-2-cyano-2-(4-fluorophenyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C22H16FN2O2- MolecularWeight: 359.373043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2C(=O)[O-])C)C=C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2C(=O)[O-])C)/C=C(/C#N)\C3=CC=C(C=C3)F

InChI

InChI=1S/C22H17FN2O2/c1-14-11-17(12-18(13-24)16-7-9-19(23)10-8-16)15(2)25(14)21-6-4-3-5-20(21)22(26)27/h3-12H,1-2H3,(H,26,27)/p-1/b18-12-