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

Systemtic Name: 3-[2-(2,2-dicyanoethenyl)pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-(2,2-dicyanovinyl)pyrrol-1-yl]benzoic acid CAS Name: 3-[2-(2,2-dicyanoethenyl)-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-(2,2-dicyanoethenyl)pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-(2,2-dicyanovinyl)pyrrol-1-yl]benzoic acid Formula: C15H9N3O2 MolecularWeight: 263.25086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9N3O2/c16-9-11(10-17)7-13-5-2-6-18(13)14-4-1-3-12(8-14)15(19)20/h1-8H,(H,19,20)