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

Systemtic Name: methyl 2-(2-azanyl-4-oxidanylidene-1,3-oxazol-3-ium-5-yl)-2-bromanyl-ethanoate Openeye Name: methyl 2-(2-amino-4-oxo-oxazol-3-ium-5-yl)-2-bromo-acetate CAS Name: 2-(2-amino-4-oxo-5-oxazol-3-iumyl)-2-bromoacetic acid methyl ester IUPAC Name: methyl 2-(2-amino-4-oxo-1,3-oxazol-3-ium-5-yl)-2-bromoacetate Traditional Name: 2-(2-amino-4-keto-2-oxazolin-3-ium-5-yl)-2-bromo-acetic acid methyl ester Formula: C6H8BrN2O4+ MolecularWeight: 252.04272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1C(=O)[NH+]=C(O1)N)Br

Isomeric SMILES

COC(=O)C(C1C(=O)[NH+]=C(O1)N)Br

InChI

InChI=1S/C6H7BrN2O4/c1-12-5(11)2(7)3-4(10)9-6(8)13-3/h2-3H,1H3,(H2,8,9,10)/p+1