3-[2-(dihydroxyboranyl)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(dihydroxyboranyl)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[2-borono-2-[(2-methyl-5-phenyl-pyrazole-3-carbonyl)amino]ethyl]-2-hydroxy-benzoic acid CAS Name: 3-[2-borono-2-[[(2-methyl-5-phenyl-3-pyrazolyl)-oxomethyl]amino]ethyl]-2-hydroxybenzoic acid IUPAC Name: 3-[2-borono-2-[(2-methyl-5-phenylpyrazole-3-carbonyl)amino]ethyl]-2-hydroxybenzoic acid Traditional Name: 3-[2-borono-2-[(2-methyl-5-phenyl-pyrazole-3-carbonyl)amino]ethyl]-2-hydroxy-benzoic acid Formula: C20H20BN3O6 MolecularWeight: 409.2003

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2=CC(=NN2C)C3=CC=CC=C3)(O)O

Isomeric SMILES

B(C(CC1=CC=CC(=C1O)C(=O)O)NC(=O)C2=CC(=NN2C)C3=CC=CC=C3)(O)O

InChI

InChI=1S/C20H20BN3O6/c1-24-16(11-15(23-24)12-6-3-2-4-7-12)19(26)22-17(21(29)30)10-13-8-5-9-14(18(13)25)20(27)28/h2-9,11,17,25,29-30H,10H2,1H3,(H,22,26)(H,27,28)