dibutyl 2-cyanobutanedioate

Systemtic Name: dibutyl 2-cyanobutanedioate Openeye Name: dibutyl 2-cyanobutanedioate CAS Name: 2-cyanobutanedioic acid dibutyl ester IUPAC Name: dibutyl 2-cyanobutanedioate Traditional Name: 2-cyanosuccinic acid dibutyl ester Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C#N)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)CC(C#N)C(=O)OCCCC

InChI

InChI=1S/C13H21NO4/c1-3-5-7-17-12(15)9-11(10-14)13(16)18-8-6-4-2/h11H,3-9H2,1-2H3