diethyl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)OCC

InChI

InChI=1S/C21H21NO7/c1-3-26-20(24)13-9-14(21(25)27-4-2)11-15(10-13)22-19(23)18-12-28-16-7-5-6-8-17(16)29-18/h5-11,18H,3-4,12H2,1-2H3,(H,22,23)