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

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 3-methylbenzofuran-2-carboxylate CAS Name: 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] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3C)C#N

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)/C(=C/3\NC4=CC=CC=C4N3C)/C#N

InChI

InChI=1S/C22H17N3O4/c1-13-14-7-3-6-10-19(14)29-20(13)22(27)28-12-18(26)15(11-23)21-24-16-8-4-5-9-17(16)25(21)2/h3-10,24H,12H2,1-2H3/b21-15+