diethyl 5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethoxy]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OCC(=O)NC2=CC3=C(C=C2)OCO3)C(=O)OCC

InChI

InChI=1S/C21H21NO8/c1-3-26-20(24)13-7-14(21(25)27-4-2)9-16(8-13)28-11-19(23)22-15-5-6-17-18(10-15)30-12-29-17/h5-10H,3-4,11-12H2,1-2H3,(H,22,23)