4-[(5-bromanylpyridin-1-ium-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(5-bromanylpyridin-1-ium-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-bromopyridin-1-ium-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(5-bromo-2-pyridin-1-iumyl)amino]-4-oxobutanoate IUPAC Name: 4-[(5-bromopyridin-1-ium-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-bromopyridin-1-ium-2-yl)amino]-4-keto-butyrate Formula: C9H9BrN2O3 MolecularWeight: 273.08336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=[NH+]C=C1Br)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=[NH+]C=C1Br)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13)