2-(1-cyanoethyl)propanedioic acid

Systemtic Name: 2-(1-cyanoethyl)propanedioic acid Openeye Name: 2-(1-cyanoethyl)propanedioic acid CAS Name: 2-(1-cyanoethyl)propanedioic acid IUPAC Name: 2-(1-cyanoethyl)propanedioic acid Traditional Name: 2-(1-cyanoethyl)malonic acid Formula: C6H7NO4 MolecularWeight: 157.12408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7NO4/c1-3(2-7)4(5(8)9)6(10)11/h3-4H,1H3,(H,8,9)(H,10,11)