5-(4-fluorophenyl)-3-oxidanyl-1,5-dihydro-2,4,3-benzodioxaborepine-8-carbonitrile

Systemtic Name: 5-(4-fluorophenyl)-3-oxidanyl-1,5-dihydro-2,4,3-benzodioxaborepine-8-carbonitrile Openeye Name: 5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2,4,3-benzodioxaborepine-8-carbonitrile CAS Name: 5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2,4,3-benzodioxaborepin-8-carbonitrile IUPAC Name: 5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2,4,3-benzodioxaborepine-8-carbonitrile Traditional Name: 5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2,4,3-benzodioxaborepin-8-carbonitrile Formula: C15H11BFNO3 MolecularWeight: 283.062143

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC2=C(C=CC(=C2)C#N)C(O1)C3=CC=C(C=C3)F)O

Isomeric SMILES

B1(OCC2=C(C=CC(=C2)C#N)C(O1)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C15H11BFNO3/c17-13-4-2-11(3-5-13)15-14-6-1-10(8-18)7-12(14)9-20-16(19)21-15/h1-7,15,19H,9H2