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

Systemtic Name: 4-[2-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-vinyl]benzoic acid Formula: C23H19BrN2O2 MolecularWeight: 435.31316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O2/c1-14-10-21(8-9-22(14)24)26-15(2)11-19(16(26)3)12-20(13-25)17-4-6-18(7-5-17)23(27)28/h4-12H,1-3H3,(H,27,28)