3-bromanyl-1,2-oxazole-5-carboxylic acid; (E)-1-(3-bromanyl-1,2-oxazol-5-yl)-2-diazonio-ethenolate

Systemtic Name: 3-bromanyl-1,2-oxazole-5-carboxylic acid; (E)-1-(3-bromanyl-1,2-oxazol-5-yl)-2-diazonio-ethenolate Openeye Name: 3-bromoisoxazole-5-carboxylic acid; (E)-1-(3-bromoisoxazol-5-yl)-2-diazonio-ethenolate CAS Name: 3-bromo-5-isoxazolecarboxylic acid; (E)-1-(3-bromo-5-isoxazolyl)-2-diazonioethenolate IUPAC Name: 3-bromo-1,2-oxazole-5-carboxylic acid; (E)-1-(3-bromo-1,2-oxazol-5-yl)-2-diazonioethenolate Traditional Name: 3-bromoisoxazole-5-carboxylic acid; (E)-1-(3-bromoisoxazol-5-yl)-2-diazonio-ethenolate Formula: C9H4Br2N4O5 MolecularWeight: 407.95986

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(ON=C1Br)C(=C[N+]#N)[O-].C1=C(ON=C1Br)C(=O)O

Isomeric SMILES

C1=C(ON=C1Br)/C(=C\[N+]#N)/[O-].C1=C(ON=C1Br)C(=O)O

InChI

InChI=1S/C5H2BrN3O2.C4H2BrNO3/c6-5-1-4(11-9-5)3(10)2-8-7;5-3-1-2(4(7)8)9-6-3/h1-2H;1H,(H,7,8)/b3-2+;