[(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-methylbenzoate

Systemtic Name: [(2Z)-2-[(6-bromanyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-methylbenzoate Openeye Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C25H17BrO6 MolecularWeight: 493.30288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC5=C4OCOC5)Br)O3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC5=C4OCOC5)Br)/O3

InChI

InChI=1S/C25H17BrO6/c1-14-4-2-3-5-19(14)25(28)31-18-6-7-20-21(11-18)32-22(23(20)27)10-15-8-17(26)9-16-12-29-13-30-24(15)16/h2-11H,12-13H2,1H3/b22-10-