sodium [2,4-dimethyl-6-(oxidanidyloxymethyl)pyridin-3-yl] 3-bromanylpropanoate

Systemtic Name: sodium [2,4-dimethyl-6-(oxidanidyloxymethyl)pyridin-3-yl] 3-bromanylpropanoate Openeye Name: sodium [2,4-dimethyl-6-(oxidooxymethyl)-3-pyridyl] 3-bromopropanoate CAS Name: sodium 3-bromopropanoic acid [2,4-dimethyl-6-(oxidooxymethyl)-3-pyridinyl] ester IUPAC Name: sodium [2,4-dimethyl-6-(oxidooxymethyl)pyridin-3-yl] 3-bromopropanoate Traditional Name: sodium 3-bromopropionic acid [2,4-dimethyl-6-(oxidooxymethyl)-3-pyridyl] ester Formula: C11H13BrNNaO4 MolecularWeight: 326.11899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1OC(=O)CCBr)C)CO[O-].[Na+]

Isomeric SMILES

CC1=CC(=NC(=C1OC(=O)CCBr)C)CO[O-].[Na+]

InChI

InChI=1S/C11H14BrNO4.Na/c1-7-5-9(6-16-15)13-8(2)11(7)17-10(14)3-4-12;/h5,15H,3-4,6H2,1-2H3;/q;+1/p-1