6-chloranyl-1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]benzotriazole

Systemtic Name: 6-chloranyl-1-[[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]benzotriazole Openeye Name: 6-chloro-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]benzotriazole CAS Name: 6-chloro-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]benzotriazole IUPAC Name: 6-chloro-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]benzotriazole Traditional Name: 6-chloro-1-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methoxy]benzotriazole Formula: C21H15ClFN3O3 MolecularWeight: 411.813503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CON4C5=C(C=CC(=C5)Cl)N=N4)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CON4C5=C(C=CC(=C5)Cl)N=N4)F

InChI

InChI=1S/C21H15ClFN3O3/c22-16-6-7-18-19(10-16)26(25-24-18)28-12-15-9-17(23)8-14-11-27-21(29-20(14)15)13-4-2-1-3-5-13/h1-10,21H,11-12H2/t21-/m0/s1