2-[[2-cyanoethoxy(oxidanyl)phosphoryl]methylamino]ethanoic acid dihydrate

Systemtic Name: 2-[[2-cyanoethoxy(oxidanyl)phosphoryl]methylamino]ethanoic acid dihydrate Openeye Name: 2-[[2-cyanoethoxy(hydroxy)phosphoryl]methylamino]acetic acid dihydrate CAS Name: 2-[[2-cyanoethoxy(hydroxy)phosphoryl]methylamino]acetic acid dihydrate IUPAC Name: 2-[[2-cyanoethoxy(hydroxy)phosphoryl]methylamino]acetic acid dihydrate Traditional Name: 2-[[2-cyanoethoxy(hydroxy)phosphoryl]methylamino]acetic acid dihydrate Formula: C6H15N2O7P MolecularWeight: 258.166261

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Descriptors Computed from Structure

Canonical SMILES:

C(COP(=O)(CNCC(=O)O)O)C#N.O.O

Isomeric SMILES

C(COP(=O)(CNCC(=O)O)O)C#N.O.O

InChI

InChI=1S/C6H11N2O5P.2H2O/c7-2-1-3-13-14(11,12)5-8-4-6(9)10;;/h8H,1,3-5H2,(H,9,10)(H,11,12);2*1H2