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

Systemtic Name: N-[(4-cyanophenyl)methyl]-2-oxidanyl-2-oxidanylidene-N-(phosphonomethyl)ethanamine oxide Openeye Name: N-[(4-cyanophenyl)methyl]-2-hydroxy-2-oxo-N-(phosphonomethyl)ethanamine oxide CAS Name: N-[(4-cyanophenyl)methyl]-2-hydroxy-2-oxo-N-(phosphonomethyl)ethanamine oxide IUPAC Name: N-[(4-cyanophenyl)methyl]-2-hydroxy-2-oxo-N-(phosphonomethyl)ethanamine oxide Traditional Name: N-(4-cyanobenzyl)-2-hydroxy-2-keto-N-(phosphonomethyl)ethanamine oxide Formula: C11H13N2O6P MolecularWeight: 300.204481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N2O6P/c12-5-9-1-3-10(4-2-9)6-13(16,7-11(14)15)8-20(17,18)19/h1-4H,6-8H2,(H,14,15)(H2,17,18,19)