diethyl 2-(1-cyano-3-methyl-butyl)propanedioate

Systemtic Name: diethyl 2-(1-cyano-3-methyl-butyl)propanedioate Openeye Name: diethyl 2-(1-cyano-3-methyl-butyl)propanedioate CAS Name: 2-(1-cyano-3-methylbutyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-cyano-3-methylbutyl)propanedioate Traditional Name: 2-(1-cyano-3-methyl-butyl)malonic acid diethyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4/c1-5-17-12(15)11(13(16)18-6-2)10(8-14)7-9(3)4/h9-11H,5-7H2,1-4H3