3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoic acid Formula: C21H13N3O3 MolecularWeight: 355.34622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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