3-[2-(dihydroxyboranyl)-2-(2-pyrazol-1-ylethanoylamino)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(2-pyrazol-1-ylethanoylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-[(2-pyrazol-1-ylacetyl)amino]ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-[(2-pyrazol-1-ylacetyl)amino]ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-[(2-pyrazol-1-ylacetyl)amino]ethyl]-2-hydroxy-benzoic acid Formula: C14H16BN3O6 MolecularWeight: 333.10434

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CN2C=CC=N2)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)CN2C=CC=N2)(O)O

InChI

InChI=1S/C14H16BN3O6/c19-12(8-18-6-2-5-16-18)17-11(15(23)24)7-9-3-1-4-10(13(9)20)14(21)22/h1-6,11,20,23-24H,7-8H2,(H,17,19)(H,21,22)