diethyl 5-[(1-oxidanyl-3-oxidanylidene-2-benzofuran-1-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(1-oxidanyl-3-oxidanylidene-2-benzofuran-1-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(1-hydroxy-3-oxo-isobenzofuran-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(1-hydroxy-3-oxo-1-isobenzofuranyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1-hydroxy-3-oxo-2-benzofuran-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-hydroxy-3-keto-phthalan-1-carbonyl)amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H19NO8 MolecularWeight: 413.37746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2(C3=CC=CC=C3C(=O)O2)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2(C3=CC=CC=C3C(=O)O2)O)C(=O)OCC

InChI

InChI=1S/C21H19NO8/c1-3-28-17(23)12-9-13(18(24)29-4-2)11-14(10-12)22-20(26)21(27)16-8-6-5-7-15(16)19(25)30-21/h5-11,27H,3-4H2,1-2H3,(H,22,26)