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

Systemtic Name: 2-[[2-cyanoethoxy(oxidanyl)phosphoryl]methylamino]ethanoic acid hydrate Openeye Name: 2-[[2-cyanoethoxy(hydroxy)phosphoryl]methylamino]acetic acid hydrate CAS Name: 2-[[2-cyanoethoxy(hydroxy)phosphoryl]methylamino]acetic acid hydrate IUPAC Name: 2-[[2-cyanoethoxy(hydroxy)phosphoryl]methylamino]acetic acid hydrate Traditional Name: 2-[[2-cyanoethoxy(hydroxy)phosphoryl]methylamino]acetic acid hydrate Formula: C6H13N2O6P MolecularWeight: 240.150981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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