ethyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6-bromanyl-5-methoxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-6-bromanyl-5-methoxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(1,3-dioxoisoindolin-2-yl)methyl]-5-methoxy-benzofuran-3-carboxylate CAS Name: 6-bromo-2-[(1,3-dioxo-2-isoindolyl)methyl]-5-methoxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(1,3-dioxoisoindol-2-yl)methyl]-5-methoxy-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-methoxy-2-(phthalimidomethyl)benzofuran-3-carboxylic acid ethyl ester Formula: C21H16BrNO6 MolecularWeight: 458.25884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16BrNO6/c1-3-28-21(26)18-13-8-16(27-2)14(22)9-15(13)29-17(18)10-23-19(24)11-6-4-5-7-12(11)20(23)25/h4-9H,3,10H2,1-2H3