5-bromanyl-2-(1,2-oxazol-5-ylcarbonylamino)-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-bromanyl-2-(1,2-oxazol-5-ylcarbonylamino)-4-oxidanylidene-pentanoic acid Openeye Name: 5-bromo-2-(isoxazole-5-carbonylamino)-4-oxo-pentanoic acid CAS Name: 5-bromo-2-[[5-isoxazolyl(oxo)methyl]amino]-4-oxopentanoic acid IUPAC Name: 5-bromo-2-(1,2-oxazole-5-carbonylamino)-4-oxopentanoic acid Traditional Name: 5-bromo-2-(isoxazole-5-carbonylamino)-4-keto-valeric acid Formula: C9H9BrN2O5 MolecularWeight: 305.08216

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(ON=C1)C(=O)NC(CC(=O)CBr)C(=O)O

Isomeric SMILES

C1=C(ON=C1)C(=O)NC(CC(=O)CBr)C(=O)O

InChI

InChI=1S/C9H9BrN2O5/c10-4-5(13)3-6(9(15)16)12-8(14)7-1-2-11-17-7/h1-2,6H,3-4H2,(H,12,14)(H,15,16)