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

Systemtic Name: tert-butyl 2-[[(2Z)-2-[(2-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoate Openeye Name: tert-butyl 2-[(2Z)-2-[(2-bromophenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetate CAS Name: 2-[[(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate Traditional Name: 2-[(2Z)-2-(2-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=CC=C3Br)O2

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3Br)/O2

InChI

InChI=1S/C21H19BrO5/c1-21(2,3)27-19(23)12-25-14-8-9-15-17(11-14)26-18(20(15)24)10-13-6-4-5-7-16(13)22/h4-11H,12H2,1-3H3/b18-10-