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

Systemtic Name: 4-[2-[1-(4-bromanyl-3-chloranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[1-(4-bromo-3-chloro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[1-(4-bromo-3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[1-(4-bromo-3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[1-(4-bromo-3-chloro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-vinyl]benzoic acid Formula: C22H16BrClN2O2 MolecularWeight: 455.73164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrClN2O2/c1-13-9-17(14(2)26(13)19-7-8-20(23)21(24)11-19)10-18(12-25)15-3-5-16(6-4-15)22(27)28/h3-11H,1-2H3,(H,27,28)