2-[2-(3-cyanopropyl)phenyl]propanedioic acid

Systemtic Name: 2-[2-(3-cyanopropyl)phenyl]propanedioic acid Openeye Name: 2-[2-(3-cyanopropyl)phenyl]propanedioic acid CAS Name: 2-[2-(3-cyanopropyl)phenyl]propanedioic acid IUPAC Name: 2-[2-(3-cyanopropyl)phenyl]propanedioic acid Traditional Name: 2-[2-(3-cyanopropyl)phenyl]malonic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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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)