3-cyano-3-pyridin-3-yl-pentanedioic acid

Systemtic Name: 3-cyano-3-pyridin-3-yl-pentanedioic acid Openeye Name: 3-cyano-3-(3-pyridyl)pentanedioic acid CAS Name: 3-cyano-3-(3-pyridinyl)pentanedioic acid IUPAC Name: 3-cyano-3-pyridin-3-ylpentanedioic acid Traditional Name: 3-cyano-3-(3-pyridyl)glutaric acid Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O4/c12-7-11(4-9(14)15,5-10(16)17)8-2-1-3-13-6-8/h1-3,6H,4-5H2,(H,14,15)(H,16,17)