tert-butyl 2-[cyano(phosphonato)methyl]butanoate

Systemtic Name: tert-butyl 2-[cyano(phosphonato)methyl]butanoate Openeye Name: tert-butyl 2-[cyano(phosphonato)methyl]butanoate CAS Name: 2-[cyano(phosphonato)methyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[cyano(phosphonato)methyl]butanoate Traditional Name: 2-[cyano(phosphonato)methyl]butyric acid tert-butyl ester Formula: C10H16NO5P-2 MolecularWeight: 261.211501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18NO5P/c1-5-7(8(6-11)17(13,14)15)9(12)16-10(2,3)4/h7-8H,5H2,1-4H3,(H2,13,14,15)/p-2