diethyl 5-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(1-oxoisochromane-3-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-ketoisochroman-3-carbonyl)amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C(=O)OCC

InChI

InChI=1S/C22H21NO7/c1-3-28-20(25)14-9-15(21(26)29-4-2)11-16(10-14)23-19(24)18-12-13-7-5-6-8-17(13)22(27)30-18/h5-11,18H,3-4,12H2,1-2H3,(H,23,24)