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

Systemtic Name: 4-[3-(2,2-dicyanoethenyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-(2,2-dicyanovinyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-(2,2-dicyanoethenyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-(2,2-dicyanoethenyl)-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-(2,2-dicyanovinyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O2/c1-11-7-15(8-13(9-18)10-19)12(2)20(11)16-5-3-14(4-6-16)17(21)22/h3-8H,1-2H3,(H,21,22)