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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-2-oxidanyl-2-oxidanylidene-N-(phosphonomethyl)ethanamine oxide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-2-hydroxy-2-oxo-N-(phosphonomethyl)ethanamine oxide CAS Name: N-[(2,4-dimethylphenyl)methyl]-2-hydroxy-2-oxo-N-(phosphonomethyl)ethanamine oxide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-2-hydroxy-2-oxo-N-(phosphonomethyl)ethanamine oxide Traditional Name: N-(2,4-dimethylbenzyl)-2-hydroxy-2-keto-N-(phosphonomethyl)ethanamine oxide Formula: C12H18NO6P MolecularWeight: 303.248181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[N+](CC(=O)O)(CP(=O)(O)O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C[N+](CC(=O)O)(CP(=O)(O)O)[O-])C

InChI

InChI=1S/C12H18NO6P/c1-9-3-4-11(10(2)5-9)6-13(16,7-12(14)15)8-20(17,18)19/h3-5H,6-8H2,1-2H3,(H,14,15)(H2,17,18,19)