diethyl 2-[2,2-dicyano-1-(4-methylphenyl)ethyl]-3-oxidanylidene-pentanedioate

Systemtic Name: diethyl 2-[2,2-dicyano-1-(4-methylphenyl)ethyl]-3-oxidanylidene-pentanedioate Openeye Name: diethyl 2-[2,2-dicyano-1-(p-tolyl)ethyl]-3-oxo-pentanedioate CAS Name: 2-[2,2-dicyano-1-(4-methylphenyl)ethyl]-3-oxopentanedioic acid diethyl ester IUPAC Name: diethyl 2-[2,2-dicyano-1-(4-methylphenyl)ethyl]-3-oxopentanedioate Traditional Name: 2-[2,2-dicyano-1-(p-tolyl)ethyl]-3-keto-glutaric acid diethyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(C(C1=CC=C(C=C1)C)C(C#N)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(=O)C(C(C1=CC=C(C=C1)C)C(C#N)C#N)C(=O)OCC

InChI

InChI=1S/C20H22N2O5/c1-4-26-17(24)10-16(23)19(20(25)27-5-2)18(15(11-21)12-22)14-8-6-13(3)7-9-14/h6-9,15,18-19H,4-5,10H2,1-3H3