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

Systemtic Name: 2-butoxy-6-[(1-oxidanyl-3H-2,1-benzoxaborol-5-yl)amino]pyridine-3-carbonitrile Openeye Name: 2-butoxy-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]pyridine-3-carbonitrile CAS Name: 2-butoxy-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]-3-pyridinecarbonitrile IUPAC Name: 2-butoxy-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]pyridine-3-carbonitrile Traditional Name: 2-butoxy-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)amino]nicotinonitrile Formula: C17H18BN3O3 MolecularWeight: 323.15412

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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)OCCCC)O

Isomeric SMILES

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

InChI

InChI=1S/C17H18BN3O3/c1-2-3-8-23-17-12(10-19)4-7-16(21-17)20-14-5-6-15-13(9-14)11-24-18(15)22/h4-7,9,22H,2-3,8,11H2,1H3,(H,20,21)