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

Systemtic Name: 2-chloranyl-5-[3-(2,2-dicyanoethenyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[3-(2,2-dicyanovinyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 2-chloro-5-[3-(2,2-dicyanoethenyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 2-chloro-5-[3-(2,2-dicyanoethenyl)-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 2-chloro-5-[3-(2,2-dicyanovinyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C17H12ClN3O2 MolecularWeight: 325.74908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O2/c1-10-5-13(6-12(8-19)9-20)11(2)21(10)14-3-4-16(18)15(7-14)17(22)23/h3-7H,1-2H3,(H,22,23)