[2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate

Systemtic Name: [2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate Openeye Name: [2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-6-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(5-methyl-2-furanyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-keto-2-[(5-methyl-2-furyl)methylene]coumaran-6-yl] ester Formula: C21H13BrO5 MolecularWeight: 425.22892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13BrO5/c1-12-2-7-15(25-12)11-19-20(23)17-9-8-16(10-18(17)27-19)26-21(24)13-3-5-14(22)6-4-13/h2-11H,1H3