3-(dihydroxyboranyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Systemtic Name: 3-(dihydroxyboranyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Openeye Name: 3-borono-5-(tert-butoxycarbonylamino)benzoic acid CAS Name: 3-borono-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid IUPAC Name: 3-borono-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Traditional Name: 3-borono-5-(tert-butoxycarbonylamino)benzoic acid Formula: C12H16BNO6 MolecularWeight: 281.06954

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1)NC(=O)OC(C)(C)C)C(=O)O)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1)NC(=O)OC(C)(C)C)C(=O)O)(O)O

InChI

InChI=1S/C12H16BNO6/c1-12(2,3)20-11(17)14-9-5-7(10(15)16)4-8(6-9)13(18)19/h4-6,18-19H,1-3H3,(H,14,17)(H,15,16)