2-[(4-cyanophenyl)methyl]propanedioic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl]propanedioic acid Openeye Name: 2-[(4-cyanophenyl)methyl]propanedioic acid CAS Name: 2-[(4-cyanophenyl)methyl]propanedioic acid IUPAC Name: 2-[(4-cyanophenyl)methyl]propanedioic acid Traditional Name: 2-(4-cyanobenzyl)malonic acid Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)C(=O)O)C#N

InChI

InChI=1S/C11H9NO4/c12-6-8-3-1-7(2-4-8)5-9(10(13)14)11(15)16/h1-4,9H,5H2,(H,13,14)(H,15,16)