[(2Z)-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] furan-2-carboxylate

Systemtic Name: [(2Z)-2-[(3-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] furan-2-carboxylate Openeye Name: [(2Z)-2-(m-tolylmethylene)-3-oxo-benzofuran-6-yl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [(2Z)-2-[(3-methylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [(2Z)-3-keto-2-(3-methylbenzylidene)coumaran-6-yl] ester Formula: C21H14O5 MolecularWeight: 346.33286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CO4

InChI

InChI=1S/C21H14O5/c1-13-4-2-5-14(10-13)11-19-20(22)16-8-7-15(12-18(16)26-19)25-21(23)17-6-3-9-24-17/h2-12H,1H3/b19-11-