3-(dihydroxyboranyl)-2-(2,2-dimethylpropanoylamino)-6-methoxy-benzoic acid

Systemtic Name: 3-(dihydroxyboranyl)-2-(2,2-dimethylpropanoylamino)-6-methoxy-benzoic acid Openeye Name: 3-borono-2-(2,2-dimethylpropanoylamino)-6-methoxy-benzoic acid CAS Name: 3-borono-2-[(2,2-dimethyl-1-oxopropyl)amino]-6-methoxybenzoic acid IUPAC Name: 3-borono-2-(2,2-dimethylpropanoylamino)-6-methoxybenzoic acid Traditional Name: 3-borono-6-methoxy-2-(pivaloylamino)benzoic acid Formula: C13H18BNO6 MolecularWeight: 295.09612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BNO6/c1-13(2,3)12(18)15-10-7(14(19)20)5-6-8(21-4)9(10)11(16)17/h5-6,19-20H,1-4H3,(H,15,18)(H,16,17)