3-(2-cyanopyridin-4-yl)pentan-3-ylphosphonic acid

Systemtic Name: 3-(2-cyanopyridin-4-yl)pentan-3-ylphosphonic acid Openeye Name: [1-(2-cyano-4-pyridyl)-1-ethyl-propyl]phosphonic acid CAS Name: 3-(2-cyano-4-pyridinyl)pentan-3-ylphosphonic acid IUPAC Name: 3-(2-cyanopyridin-4-yl)pentan-3-ylphosphonic acid Traditional Name: [1-(2-cyano-4-pyridyl)-1-ethyl-propyl]phosphonic acid Formula: C11H15N2O3P MolecularWeight: 254.222161

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=NC=C1)C#N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC(=NC=C1)C#N)P(=O)(O)O

InChI

InChI=1S/C11H15N2O3P/c1-3-11(4-2,17(14,15)16)9-5-6-13-10(7-9)8-12/h5-7H,3-4H2,1-2H3,(H2,14,15,16)