[(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-bromanylbenzoate

Systemtic Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 2-bromanylbenzoate Openeye Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(2E)-7-methyl-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-7-methyl-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(2E)-3-keto-7-methyl-2-[(1-methylindol-3-yl)methylene]coumaran-6-yl] ester Formula: C26H18BrNO4 MolecularWeight: 488.32942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=CC3=CN(C4=CC=CC=C43)C)C2=O)OC(=O)C5=CC=CC=C5Br

Isomeric SMILES

CC1=C(C=CC2=C1O/C(=C/C3=CN(C4=CC=CC=C43)C)/C2=O)OC(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C26H18BrNO4/c1-15-22(32-26(30)18-8-3-5-9-20(18)27)12-11-19-24(29)23(31-25(15)19)13-16-14-28(2)21-10-6-4-7-17(16)21/h3-14H,1-2H3/b23-13+