N-[4-(2-cyanoethanoyl)-2,5,6-trimethyl-pyridin-3-yl]-methyl-boronamidic acid

Systemtic Name: N-[4-(2-cyanoethanoyl)-2,5,6-trimethyl-pyridin-3-yl]-methyl-boronamidic acid Openeye Name: N-[4-(2-cyanoacetyl)-2,5,6-trimethyl-3-pyridyl]-methyl-boronamidic acid CAS Name: N-[4-(2-cyano-1-oxoethyl)-2,5,6-trimethyl-3-pyridinyl]-methylboronamidic acid IUPAC Name: N-[4-(2-cyanoacetyl)-2,5,6-trimethylpyridin-3-yl]-methylboronamidic acid Traditional Name: N-[4-(2-cyanoacetyl)-2,5,6-trimethyl-3-pyridyl]-methyl-boronamidic acid Formula: C12H16BN3O2 MolecularWeight: 245.08534

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NC1=C(N=C(C(=C1C(=O)CC#N)C)C)C)O

Isomeric SMILES

B(C)(NC1=C(N=C(C(=C1C(=O)CC#N)C)C)C)O

InChI

InChI=1S/C12H16BN3O2/c1-7-8(2)15-9(3)12(16-13(4)18)11(7)10(17)5-6-14/h16,18H,5H2,1-4H3