1-(3-bromanylpyridin-4-yl)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-1-olate

Systemtic Name: 1-(3-bromanylpyridin-4-yl)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-1-olate Openeye Name: 1-(3-bromo-4-pyridyl)-1-(4,4-dimethyl-5H-oxazol-2-yl)propan-1-olate CAS Name: 1-(3-bromo-4-pyridinyl)-1-(4,4-dimethyl-5H-oxazol-2-yl)-1-propanolate IUPAC Name: 1-(3-bromopyridin-4-yl)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-1-olate Traditional Name: 1-(3-bromo-4-pyridyl)-1-(4,4-dimethyl-2-oxazolin-2-yl)propan-1-olate Formula: C13H16BrN2O2- MolecularWeight: 312.18234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=NC=C1)Br)(C2=NC(CO2)(C)C)[O-]

Isomeric SMILES

CCC(C1=C(C=NC=C1)Br)(C2=NC(CO2)(C)C)[O-]

InChI

InChI=1S/C13H16BrN2O2/c1-4-13(17,9-5-6-15-7-10(9)14)11-16-12(2,3)8-18-11/h5-7H,4,8H2,1-3H3/q-1