methyl 4-oxidanylidene-3-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methyl]phthalazine-1-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[(5,6,7-trimethoxy-3-oxidanylidene-1H-2-benzofuran-4-yl)methyl]phthalazine-1-carboxylate Openeye Name: methyl 4-oxo-3-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[(5,6,7-trimethoxy-3-oxo-1H-isobenzofuran-4-yl)methyl]-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[(5,6,7-trimethoxy-3-oxo-1H-2-benzofuran-4-yl)methyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[(3-keto-5,6,7-trimethoxy-phthalan-4-yl)methyl]phthalazine-1-carboxylic acid methyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)OC)OC)OC

InChI

InChI=1S/C22H20N2O8/c1-28-17-13(15-14(10-32-21(15)26)18(29-2)19(17)30-3)9-24-20(25)12-8-6-5-7-11(12)16(23-24)22(27)31-4/h5-8H,9-10H2,1-4H3