3-[2-(dihydroxyboranyl)-2-(pyrimidin-5-ylcarbonylamino)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-(pyrimidin-5-ylcarbonylamino)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-(pyrimidine-5-carbonylamino)ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[[oxo(5-pyrimidinyl)methyl]amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-(pyrimidine-5-carbonylamino)ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-(pyrimidine-5-carbonylamino)ethyl]-2-hydroxy-benzoic acid Formula: C14H14BN3O6 MolecularWeight: 331.08846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BN3O6/c19-12-8(2-1-3-10(12)14(21)22)4-11(15(23)24)18-13(20)9-5-16-7-17-6-9/h1-3,5-7,11,19,23-24H,4H2,(H,18,20)(H,21,22)