3,5-dimethyl-3-(2-phosphonoethanoyl)-2,6-dihydro-1H-pyridine-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-3-(2-phosphonoethanoyl)-2,6-dihydro-1H-pyridine-2-carboxylic acid Openeye Name: 3,5-dimethyl-3-(2-phosphonoacetyl)-2,6-dihydro-1H-pyridine-2-carboxylic acid CAS Name: 3,5-dimethyl-3-(1-oxo-2-phosphonoethyl)-2,6-dihydro-1H-pyridine-2-carboxylic acid IUPAC Name: 3,5-dimethyl-3-(2-phosphonoacetyl)-2,6-dihydro-1H-pyridine-2-carboxylic acid Traditional Name: 3,5-dimethyl-3-(2-phosphonoacetyl)-2,6-dihydro-1H-pyridine-2-carboxylic acid Formula: C10H16NO6P MolecularWeight: 277.210901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(NC1)C(=O)O)(C)C(=O)CP(=O)(O)O

Isomeric SMILES

CC1=CC(C(NC1)C(=O)O)(C)C(=O)CP(=O)(O)O

InChI

InChI=1S/C10H16NO6P/c1-6-3-10(2,7(12)5-18(15,16)17)8(9(13)14)11-4-6/h3,8,11H,4-5H2,1-2H3,(H,13,14)(H2,15,16,17)