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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)Br)O3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(C=C4)Br)/O3

InChI

InChI=1S/C23H15BrO4/c1-14-4-2-3-5-18(14)23(26)27-17-10-11-19-20(13-17)28-21(22(19)25)12-15-6-8-16(24)9-7-15/h2-13H,1H3/b21-12-