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

Systemtic Name: dimethyl 5-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C(=O)OC

InChI

InChI=1S/C20H17NO7/c1-26-18(23)12-7-13(19(24)27-2)9-14(8-12)21-17(22)16-10-11-5-3-4-6-15(11)20(25)28-16/h3-9,16H,10H2,1-2H3,(H,21,22)