[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-propenoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethoxyphenyl)acrylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O5/c1-28-15-9-14(10-16(11-15)29-2)7-8-21(27)30-13-20(26)17(12-23)22-24-18-5-3-4-6-19(18)25-22/h3-11,24-25H,13H2,1-2H3/b8-7+