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

Systemtic Name: ethyl 3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]oxymethyl]coumarilic acid ethyl ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H18N2O6/c1-2-28-22(27)20-16(14-8-5-6-10-18(14)30-20)12-29-19(25)11-17-13-7-3-4-9-15(13)21(26)24-23-17/h3-10H,2,11-12H2,1H3,(H,24,26)