(3-acetamido-4-oxidanyl-phenyl)arsonic acid; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

Systemtic Name: (3-acetamido-4-oxidanyl-phenyl)arsonic acid; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: (3-acetamido-4-hydroxy-phenyl)arsonic acid; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate CAS Name: (3-acetamido-4-hydroxyphenyl)arsonic acid; 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester IUPAC Name: (3-acetamido-4-hydroxyphenyl)arsonic acid; methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate Traditional Name: (3-acetamido-4-hydroxy-phenyl)arsonic acid; arecoline Formula: C16H23AsN2O7 MolecularWeight: 430.28462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O.CN1CCC=C(C1)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O.CN1CCC=C(C1)C(=O)OC

InChI

InChI=1S/C8H10AsNO5.C8H13NO2/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;1-9-5-3-4-7(6-9)8(10)11-2/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);4H,3,5-6H2,1-2H3