2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-(3-methylbut-2-enoxy)-1-benzofuran-3-one

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-(3-methylbut-2-enoxy)-1-benzofuran-3-one Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylene]-6-(3-methylbut-2-enoxy)benzofuran-3-one CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylidene]-6-(3-methylbut-2-enoxy)-3-benzofuranone IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylidene]-6-(3-methylbut-2-enoxy)-1-benzofuran-3-one Traditional Name: 2-(5-bromo-2-methoxy-benzylidene)-6-(3-methylbut-2-enoxy)coumaran-3-one Formula: C21H19BrO4 MolecularWeight: 415.27716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC(=C3)Br)OC)O2)C

Isomeric SMILES

CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC(=C3)Br)OC)O2)C

InChI

InChI=1S/C21H19BrO4/c1-13(2)8-9-25-16-5-6-17-19(12-16)26-20(21(17)23)11-14-10-15(22)4-7-18(14)24-3/h4-8,10-12H,9H2,1-3H3