[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzoate

Systemtic Name: [2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzoate Openeye Name: [2-[(3-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(3-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(3-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C23H15BrO4 MolecularWeight: 435.2668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)Br)O3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)Br)O3

InChI

InChI=1S/C23H15BrO4/c1-14-5-7-16(8-6-14)23(26)27-18-9-10-19-20(13-18)28-21(22(19)25)12-15-3-2-4-17(24)11-15/h2-13H,1H3