(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (2-carbethoxybenzofuran-3-yl)methyl ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H16N2O6/c1-2-27-21(26)18-15(12-7-5-6-10-16(12)29-18)11-28-20(25)17-13-8-3-4-9-14(13)19(24)23-22-17/h3-10H,2,11H2,1H3,(H,23,24)