N-[(4-nitrophenyl)methyl]-2-oxidanyl-2-oxidanylidene-N-(phosphonomethyl)ethanamine oxide

Systemtic Name: N-[(4-nitrophenyl)methyl]-2-oxidanyl-2-oxidanylidene-N-(phosphonomethyl)ethanamine oxide Openeye Name: 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-oxo-N-(phosphonomethyl)ethanamine oxide CAS Name: 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-oxo-N-(phosphonomethyl)ethanamine oxide IUPAC Name: 2-hydroxy-N-[(4-nitrophenyl)methyl]-2-oxo-N-(phosphonomethyl)ethanamine oxide Traditional Name: 2-hydroxy-2-keto-N-(4-nitrobenzyl)-N-(phosphonomethyl)ethanamine oxide Formula: C10H13N2O8P MolecularWeight: 320.192581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+](CC(=O)O)(CP(=O)(O)O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[N+](CC(=O)O)(CP(=O)(O)O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13N2O8P/c13-10(14)6-12(17,7-21(18,19)20)5-8-1-3-9(4-2-8)11(15)16/h1-4H,5-7H2,(H,13,14)(H2,18,19,20)