diethyl 2,4-bis(1,3-benzodioxol-5-yl)-3-cyano-6-oxidanylidene-piperidine-3,5-dicarboxylate

Systemtic Name: diethyl 2,4-bis(1,3-benzodioxol-5-yl)-3-cyano-6-oxidanylidene-piperidine-3,5-dicarboxylate Openeye Name: diethyl 2,4-bis(1,3-benzodioxol-5-yl)-3-cyano-6-oxo-piperidine-3,5-dicarboxylate CAS Name: 2,4-bis(1,3-benzodioxol-5-yl)-3-cyano-6-oxopiperidine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,4-bis(1,3-benzodioxol-5-yl)-3-cyano-6-oxopiperidine-3,5-dicarboxylate Traditional Name: 2,4-bis(1,3-benzodioxol-5-yl)-3-cyano-6-keto-piperidine-3,5-dicarboxylic acid diethyl ester Formula: C26H24N2O9 MolecularWeight: 508.47676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(NC1=O)C2=CC3=C(C=C2)OCO3)(C#N)C(=O)OCC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1C(C(C(NC1=O)C2=CC3=C(C=C2)OCO3)(C#N)C(=O)OCC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H24N2O9/c1-3-32-24(30)20-21(14-5-7-16-18(9-14)36-12-34-16)26(11-27,25(31)33-4-2)22(28-23(20)29)15-6-8-17-19(10-15)37-13-35-17/h5-10,20-22H,3-4,12-13H2,1-2H3,(H,28,29)