[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-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] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H16FN3O4 MolecularWeight: 405.378543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3C)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OCC(=O)/C(=C/3\NC4=CC=CC=C4N3C)/C#N

InChI

InChI=1S/C22H16FN3O4/c1-12-14-9-13(23)7-8-19(14)30-20(12)22(28)29-11-18(27)15(10-24)21-25-16-5-3-4-6-17(16)26(21)2/h3-9,25H,11H2,1-2H3/b21-15+