2-[2-(3-cyanopropyl)phenyl]propanedioate

Systemtic Name: 2-[2-(3-cyanopropyl)phenyl]propanedioate Openeye Name: 2-[2-(3-cyanopropyl)phenyl]propanedioate CAS Name: 2-[2-(3-cyanopropyl)phenyl]propanedioate IUPAC Name: 2-[2-(3-cyanopropyl)phenyl]propanedioate Traditional Name: 2-[2-(3-cyanopropyl)phenyl]malonate Formula: C13H11NO4-2 MolecularWeight: 245.23074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCC#N)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CCCC#N)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H13NO4/c14-8-4-3-6-9-5-1-2-7-10(9)11(12(15)16)13(17)18/h1-2,5,7,11H,3-4,6H2,(H,15,16)(H,17,18)/p-2