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

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-carbethoxybenzofuran-3-yl)methyl 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)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6/c1-3-28-22(27)19-16(13-8-6-7-11-17(13)30-19)12-29-21(26)18-14-9-4-5-10-15(14)20(25)24(2)23-18/h4-11H,3,12H2,1-2H3