6-[(1-oxidanyl-3H-2,1-benzoxaborol-5-yl)amino]-2-propoxy-pyridine-3-carbonitrile

Systemtic Name: 6-[(1-oxidanyl-3H-2,1-benzoxaborol-5-yl)amino]-2-propoxy-pyridine-3-carbonitrile Openeye Name: 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]-2-propoxy-pyridine-3-carbonitrile CAS Name: 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]-2-propoxy-3-pyridinecarbonitrile IUPAC Name: 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]-2-propoxypyridine-3-carbonitrile Traditional Name: 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]-2-propoxy-nicotinonitrile Formula: C16H16BN3O3 MolecularWeight: 309.12754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(CO1)C=C(C=C2)NC3=NC(=C(C=C3)C#N)OCCC)O

Isomeric SMILES

B1(C2=C(CO1)C=C(C=C2)NC3=NC(=C(C=C3)C#N)OCCC)O

InChI

InChI=1S/C16H16BN3O3/c1-2-7-22-16-11(9-18)3-6-15(20-16)19-13-4-5-14-12(8-13)10-23-17(14)21/h3-6,8,21H,2,7,10H2,1H3,(H,19,20)