[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic 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:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)OC

InChI

InChI=1S/C21H19N3O5/c1-3-28-18-9-8-13(10-19(18)27-2)21(26)29-12-17(25)14(11-22)20-23-15-6-4-5-7-16(15)24-20/h4-10,23-24H,3,12H2,1-2H3