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

Systemtic Name: [2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-methoxybenzoate Openeye Name: [2-[(3-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-[(3-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-(3-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C23H15BrO5 MolecularWeight: 451.2662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)Br)O3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)Br)O3

InChI

InChI=1S/C23H15BrO5/c1-27-17-7-3-5-15(12-17)23(26)28-18-8-9-19-20(13-18)29-21(22(19)25)11-14-4-2-6-16(24)10-14/h2-13H,1H3