[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2,4-dimethoxyphenyl)ethanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2,4-dimethoxyphenyl)ethanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 2-(2,4-dimethoxyphenyl)acetate CAS Name: 2-(2,4-dimethoxyphenyl)acetic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 2-(2,4-dimethoxyphenyl)acetate Traditional Name: 2-(2,4-dimethoxyphenyl)acetic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)COC(=O)CC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)COC(=O)CC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C22H21N3O5/c1-25-18-7-5-4-6-17(18)24-22(25)16(12-23)19(26)13-30-21(27)10-14-8-9-15(28-2)11-20(14)29-3/h4-9,11,24H,10,13H2,1-3H3/b22-16+