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

Systemtic Name: 4-[3-[2-(4-bromophenyl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[2-(4-bromophenyl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[2-(4-bromophenyl)-2-cyanoethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[2-(4-bromophenyl)-2-cyanoethenyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[2-(4-bromophenyl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O2/c1-14-11-18(12-19(13-24)16-3-7-20(23)8-4-16)15(2)25(14)21-9-5-17(6-10-21)22(26)27/h3-12H,1-2H3,(H,26,27)