3-[[4-(4-fluorophenyl)phenyl]methyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione

Systemtic Name: 3-[[4-(4-fluorophenyl)phenyl]methyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 3-[[4-(4-fluorophenyl)phenyl]methyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 3-[[4-(4-fluorophenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 3-[[4-(4-fluorophenyl)phenyl]methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 3-[4-(4-fluorophenyl)benzyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C23H14FN3O3 MolecularWeight: 399.373963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N([N+](=N3)[O-])CC4=CC=C(C=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N([N+](=N3)[O-])CC4=CC=C(C=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H14FN3O3/c24-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-26-21-20(25-27(26)30)22(28)18-3-1-2-4-19(18)23(21)29/h1-12H,13H2