4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate

Systemtic Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoate Openeye Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzoate IUPAC Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoate Formula: C21H12N3O3- MolecularWeight: 354.33828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)[O-])/C#N

InChI

InChI=1S/C21H13N3O3/c22-12-15(20-23-17-3-1-2-4-18(17)24-20)11-16-9-10-19(27-16)13-5-7-14(8-6-13)21(25)26/h1-11H,(H,23,24)(H,25,26)/p-1/b15-11+