3-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]pyrrol-1-yl]benzoic acid Formula: C21H14N4O2 MolecularWeight: 354.36146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/C#N

InChI

InChI=1S/C21H14N4O2/c22-13-15(20-23-18-8-1-2-9-19(18)24-20)12-17-7-4-10-25(17)16-6-3-5-14(11-16)21(26)27/h1-12H,(H,23,24)(H,26,27)/b15-12+