[(2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-3-oxo-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(2Z)-2-(2-chloro-6-fluoro-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C23H12ClFO6 MolecularWeight: 438.789183

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=C(C=CC=C5Cl)F)O4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)/C(=C/C5=C(C=CC=C5Cl)F)/O4

InChI

InChI=1S/C23H12ClFO6/c24-16-2-1-3-17(25)15(16)10-21-22(26)14-6-5-13(9-19(14)31-21)30-23(27)12-4-7-18-20(8-12)29-11-28-18/h1-10H,11H2/b21-10-