4-[2-[1-(3-chloranyl-4-methyl-phenyl)pyrrol-2-yl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[1-(3-chloranyl-4-methyl-phenyl)pyrrol-2-yl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[1-(3-chloro-4-methyl-phenyl)pyrrol-2-yl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[1-(3-chloro-4-methylphenyl)-2-pyrrolyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[1-(3-chloro-4-methyl-phenyl)pyrrol-2-yl]-1-cyano-vinyl]benzoic acid Formula: C21H15ClN2O2 MolecularWeight: 362.809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CC=C2C=C(C#N)C3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CC=C2C=C(C#N)C3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C21H15ClN2O2/c1-14-4-9-19(12-20(14)22)24-10-2-3-18(24)11-17(13-23)15-5-7-16(8-6-15)21(25)26/h2-12H,1H3,(H,25,26)