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

Systemtic Name: 4-[1-cyano-2-[1-(2,3-dimethylphenyl)pyrrol-2-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[1-(2,3-dimethylphenyl)pyrrol-2-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[1-(2,3-dimethylphenyl)-2-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[1-(2,3-dimethylphenyl)pyrrol-2-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[1-(2,3-dimethylphenyl)pyrrol-2-yl]vinyl]benzoic acid Formula: C22H18N2O2 MolecularWeight: 342.39052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O2/c1-15-5-3-7-21(16(15)2)24-12-4-6-20(24)13-19(14-23)17-8-10-18(11-9-17)22(25)26/h3-13H,1-2H3,(H,25,26)