[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C20H14BrNO4 MolecularWeight: 412.23346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H14BrNO4/c1-11-14-8-12(21)6-7-18(14)26-19(11)20(24)25-10-17(23)15-9-22-16-5-3-2-4-13(15)16/h2-9,22H,10H2,1H3