[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate

Systemtic Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate Openeye Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2Z)-3-keto-2-piperonylidene-coumaran-6-yl] ester Formula: C23H13BrO6 MolecularWeight: 465.24972

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H13BrO6/c24-15-4-2-14(3-5-15)23(26)29-16-6-7-17-19(11-16)30-21(22(17)25)10-13-1-8-18-20(9-13)28-12-27-18/h1-11H,12H2/b21-10-