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

Systemtic Name: 6-[(1-oxidanyl-3H-2,1-benzoxaborol-5-yl)amino]-2-pentoxy-pyridine-3-carbonitrile Openeye Name: 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]-2-pentoxy-pyridine-3-carbonitrile CAS Name: 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]-2-pentoxy-3-pyridinecarbonitrile IUPAC Name: 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]-2-pentoxypyridine-3-carbonitrile Traditional Name: 2-amoxy-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]nicotinonitrile Formula: C18H20BN3O3 MolecularWeight: 337.1807

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BN3O3/c1-2-3-4-9-24-18-13(11-20)5-8-17(22-18)21-15-6-7-16-14(10-15)12-25-19(16)23/h5-8,10,23H,2-4,9,12H2,1H3,(H,21,22)