tert-butyl 2-[[2-[(4-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate

Systemtic Name: tert-butyl 2-[[2-[(4-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate Openeye Name: tert-butyl 2-[2-[(4-bromophenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetate CAS Name: 2-[[2-[(4-bromophenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate Traditional Name: 2-[2-(4-bromobenzylidene)-3-keto-coumaran-6-yl]oxyacetic acid tert-butyl ester Formula: C21H19BrO5 MolecularWeight: 431.27656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrO5/c1-21(2,3)27-19(23)12-25-15-8-9-16-17(11-15)26-18(20(16)24)10-13-4-6-14(22)7-5-13/h4-11H,12H2,1-3H3