[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2,6-dimethoxybenzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2,6-dimethoxybenzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5/c1-26-16-8-5-9-17(27-2)18(16)20(25)28-11-15(24)12(10-21)19-22-13-6-3-4-7-14(13)23-19/h3-9,22-23H,11H2,1-2H3