ethyl 5-bromanyl-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C22H17BrN2O6 MolecularWeight: 485.28418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H17BrN2O6/c1-2-29-22(28)20-16(15-9-12(23)7-8-18(15)31-20)11-30-19(26)10-17-13-5-3-4-6-14(13)21(27)25-24-17/h3-9H,2,10-11H2,1H3,(H,25,27)