4-[1-cyano-2-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]benzoic acid Formula: C22H17IN2O2 MolecularWeight: 468.28705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=C(C#N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H17IN2O2/c1-14-11-18(15(2)25(14)21-9-7-20(23)8-10-21)12-19(13-24)16-3-5-17(6-4-16)22(26)27/h3-12H,1-2H3,(H,26,27)