2-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)ethanoate

Systemtic Name: 2-(4-bromanyl-3-methyl-1,2-oxazol-5-yl)ethanoate Openeye Name: 2-(4-bromo-3-methyl-isoxazol-5-yl)acetate CAS Name: 2-(4-bromo-3-methyl-5-isoxazolyl)acetate IUPAC Name: 2-(4-bromo-3-methyl-1,2-oxazol-5-yl)acetate Traditional Name: 2-(4-bromo-3-methyl-isoxazol-5-yl)acetate Formula: C6H5BrNO3- MolecularWeight: 219.0128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Br)CC(=O)[O-]

Isomeric SMILES

CC1=NOC(=C1Br)CC(=O)[O-]

InChI

InChI=1S/C6H6BrNO3/c1-3-6(7)4(11-8-3)2-5(9)10/h2H2,1H3,(H,9,10)/p-1