[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2,6-dimethoxy-phenyl] ethanoate

Systemtic Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2,6-dimethoxy-phenyl] ethanoate Openeye Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,6-dimethoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,6-dimethoxyphenyl] ester IUPAC Name: [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,6-dimethoxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2,6-dimethoxy-phenyl] ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C20H17N3O4/c1-12(24)27-19-17(25-2)9-13(10-18(19)26-3)8-14(11-21)20-22-15-6-4-5-7-16(15)23-20/h4-10H,1-3H3,(H,22,23)/b14-8+