3-ethyl-2-methylidene-3-phosphonato-pentanenitrile

Systemtic Name: 3-ethyl-2-methylidene-3-phosphonato-pentanenitrile Openeye Name: 3-ethyl-2-methylene-3-phosphonato-pentanenitrile CAS Name: 3-ethyl-2-methylene-3-phosphonatopentanenitrile IUPAC Name: 3-ethyl-2-methylidene-3-phosphonatopentanenitrile Traditional Name: 2-(1-ethyl-1-phosphonato-propyl)acrylonitrile Formula: C8H12NO3P-2 MolecularWeight: 201.159541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=C)C#N)P(=O)([O-])[O-]

Isomeric SMILES

CCC(CC)(C(=C)C#N)P(=O)([O-])[O-]

InChI

InChI=1S/C8H14NO3P/c1-4-8(5-2,7(3)6-9)13(10,11)12/h3-5H2,1-2H3,(H2,10,11,12)/p-2