4-[2-(5-oxidanyl-1-benzofuran-3-yl)-2-oxidanylidene-ethoxy]-2H-phthalazin-1-one

Systemtic Name: 4-[2-(5-oxidanyl-1-benzofuran-3-yl)-2-oxidanylidene-ethoxy]-2H-phthalazin-1-one Openeye Name: 4-[2-(5-hydroxybenzofuran-3-yl)-2-oxo-ethoxy]-2H-phthalazin-1-one CAS Name: 4-[2-(5-hydroxy-3-benzofuranyl)-2-oxoethoxy]-2H-phthalazin-1-one IUPAC Name: 4-[2-(5-hydroxy-1-benzofuran-3-yl)-2-oxoethoxy]-2H-phthalazin-1-one Traditional Name: 4-[2-(5-hydroxybenzofuran-3-yl)-2-keto-ethoxy]-2H-phthalazin-1-one Formula: C18H12N2O5 MolecularWeight: 336.29828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2OCC(=O)C3=COC4=C3C=C(C=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2OCC(=O)C3=COC4=C3C=C(C=C4)O

InChI

InChI=1S/C18H12N2O5/c21-10-5-6-16-13(7-10)14(8-24-16)15(22)9-25-18-12-4-2-1-3-11(12)17(23)19-20-18/h1-8,21H,9H2,(H,19,23)