[(2Z)-3-oxidanylidene-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-bromanylbenzoate

Systemtic Name: [(2Z)-3-oxidanylidene-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-bromanylbenzoate Openeye Name: [(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-6-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2Z)-3-keto-2-(2,3,4-trimethoxybenzylidene)coumaran-6-yl] ester Formula: C25H19BrO7 MolecularWeight: 511.31816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)OC)OC

InChI

InChI=1S/C25H19BrO7/c1-29-19-11-6-15(23(30-2)24(19)31-3)12-21-22(27)18-10-9-17(13-20(18)33-21)32-25(28)14-4-7-16(26)8-5-14/h4-13H,1-3H3/b21-12-