[(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-methylbenzoate

Systemtic Name: [(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-methylbenzoate Openeye Name: [(2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-3-oxo-benzofuran-6-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [(2Z)-2-(5-bromo-2-methoxy-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C24H17BrO5 MolecularWeight: 465.29278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=CC(=C4)Br)OC)O3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=C(C=CC(=C4)Br)OC)/O3

InChI

InChI=1S/C24H17BrO5/c1-14-5-3-4-6-18(14)24(27)29-17-8-9-19-21(13-17)30-22(23(19)26)12-15-11-16(25)7-10-20(15)28-2/h3-13H,1-2H3/b22-12-