[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2,2-dimethylpropanoate

Systemtic Name: [2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2,2-dimethylpropanoate Openeye Name: [2-[(3-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(3-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-(3-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C20H17BrO4 MolecularWeight: 401.25058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)Br)O2

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)Br)O2

InChI

InChI=1S/C20H17BrO4/c1-20(2,3)19(23)24-14-7-8-15-16(11-14)25-17(18(15)22)10-12-5-4-6-13(21)9-12/h4-11H,1-3H3