2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoic acid

Systemtic Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoic acid CAS Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid Traditional Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoic acid Formula: C21H13N3O3 MolecularWeight: 355.34622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C21H13N3O3/c22-12-13(20-23-17-7-3-4-8-18(17)24-20)11-14-9-10-19(27-14)15-5-1-2-6-16(15)21(25)26/h1-11H,(H,23,24)(H,25,26)/b13-11+