2-oxidanyl-2-oxidanylidene-N-(phosphonomethyl)-N-(pyridin-2-ylmethyl)ethanamine oxide

Systemtic Name: 2-oxidanyl-2-oxidanylidene-N-(phosphonomethyl)-N-(pyridin-2-ylmethyl)ethanamine oxide Openeye Name: 2-hydroxy-2-oxo-N-(phosphonomethyl)-N-(2-pyridylmethyl)ethanamine oxide CAS Name: 2-hydroxy-2-oxo-N-(phosphonomethyl)-N-(2-pyridinylmethyl)ethanamine oxide IUPAC Name: 2-hydroxy-2-oxo-N-(phosphonomethyl)-N-(pyridin-2-ylmethyl)ethanamine oxide Traditional Name: 2-hydroxy-2-keto-N-(phosphonomethyl)-N-(2-pyridylmethyl)ethanamine oxide Formula: C9H13N2O6P MolecularWeight: 276.183081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C[N+](CC(=O)O)(CP(=O)(O)O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C[N+](CC(=O)O)(CP(=O)(O)O)[O-]

InChI

InChI=1S/C9H13N2O6P/c12-9(13)6-11(14,7-18(15,16)17)5-8-3-1-2-4-10-8/h1-4H,5-7H2,(H,12,13)(H2,15,16,17)