2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[5-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]acetate Formula: C19H14N3O4- MolecularWeight: 348.33216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC(=O)[O-]

InChI

InChI=1S/C19H15N3O4/c1-25-16-7-6-12(9-17(16)26-11-18(23)24)8-13(10-20)19-21-14-4-2-3-5-15(14)22-19/h2-9H,11H2,1H3,(H,21,22)(H,23,24)/p-1/b13-8+