3-[2-(dihydroxyboranyl)-2-(1,2-oxazol-5-ylcarbonylamino)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(1,2-oxazol-5-ylcarbonylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-(isoxazole-5-carbonylamino)ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[[5-isoxazolyl(oxo)methyl]amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-(1,2-oxazole-5-carbonylamino)ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(isoxazole-5-carbonylamino)ethyl]-2-hydroxy-benzoic acid Formula: C13H13BN2O7 MolecularWeight: 320.06252

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2=CC=NO2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2=CC=NO2)(O)O

InChI

InChI=1S/C13H13BN2O7/c17-11-7(2-1-3-8(11)13(19)20)6-10(14(21)22)16-12(18)9-4-5-15-23-9/h1-5,10,17,21-22H,6H2,(H,16,18)(H,19,20)