3-[4-[azanyl(cyano)methyl]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[azanyl(cyano)methyl]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[amino(cyano)methyl]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[amino(cyano)methyl]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[amino(cyano)methyl]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[amino(cyano)methyl]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C13H19N2O3P MolecularWeight: 282.275321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N2O3P/c1-3-13(4-2,19(16,17)18)11-7-5-10(6-8-11)12(15)9-14/h5-8,12H,3-4,15H2,1-2H3,(H2,16,17,18)