tert-butyl 2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate

Systemtic Name: tert-butyl 2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate Openeye Name: tert-butyl 2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl]oxyacetate CAS Name: 2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-6-benzofuranyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]acetate Traditional Name: 2-[(2Z)-3-keto-2-piperonylidene-coumaran-6-yl]oxyacetic acid tert-butyl ester Formula: C22H20O7 MolecularWeight: 396.39

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC4=C(C=C3)OCO4)O2

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/O2

InChI

InChI=1S/C22H20O7/c1-22(2,3)29-20(23)11-25-14-5-6-15-17(10-14)28-19(21(15)24)9-13-4-7-16-18(8-13)27-12-26-16/h4-10H,11-12H2,1-3H3/b19-9-