[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)OC

InChI

InChI=1S/C21H19N3O5/c1-27-18-8-7-13(9-19(18)28-2)10-20(26)29-12-17(25)14(11-22)21-23-15-5-3-4-6-16(15)24-21/h3-9,23-24H,10,12H2,1-2H3