[(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate

Systemtic Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate Openeye Name: [(2E)-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2E)-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2E)-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C25H16BrNO4 MolecularWeight: 474.30284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H16BrNO4/c1-27-14-16(19-4-2-3-5-21(19)27)12-23-24(28)20-11-10-18(13-22(20)31-23)30-25(29)15-6-8-17(26)9-7-15/h2-14H,1H3/b23-12+