3-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

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