[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-benzofuran-2-carboxylate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-benzofuran-2-carboxylate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic 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] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)COC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H15N3O4/c1-24-16-8-4-3-7-15(16)23-20(24)14(11-22)17(25)12-27-21(26)19-10-13-6-2-5-9-18(13)28-19/h2-10,23H,12H2,1H3/b20-14+