N-[(3-ethoxycarbonylphenyl)methyl]-2-oxidanyl-2-oxidanylidene-N-(phosphonomethyl)ethanamine oxide

Systemtic Name: N-[(3-ethoxycarbonylphenyl)methyl]-2-oxidanyl-2-oxidanylidene-N-(phosphonomethyl)ethanamine oxide Openeye Name: N-[(3-ethoxycarbonylphenyl)methyl]-2-hydroxy-2-oxo-N-(phosphonomethyl)ethanamine oxide CAS Name: N-[(3-ethoxycarbonylphenyl)methyl]-2-hydroxy-2-oxo-N-(phosphonomethyl)ethanamine oxide IUPAC Name: N-[(3-ethoxycarbonylphenyl)methyl]-2-hydroxy-2-oxo-N-(phosphonomethyl)ethanamine oxide Traditional Name: N-(3-carbethoxybenzyl)-2-hydroxy-2-keto-N-(phosphonomethyl)ethanamine oxide Formula: C13H18NO8P MolecularWeight: 347.257681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO8P/c1-2-22-13(17)11-5-3-4-10(6-11)7-14(18,8-12(15)16)9-23(19,20)21/h3-6H,2,7-9H2,1H3,(H,15,16)(H2,19,20,21)