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

Systemtic Name: 3-[2-(4-fluorophenyl)ethyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 3-[2-(4-fluorophenyl)ethyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 3-[2-(4-fluorophenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 3-[2-(4-fluorophenyl)ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 3-[2-(4-fluorophenyl)ethyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C18H12FN3O3 MolecularWeight: 337.304583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N([N+](=N3)[O-])CCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N([N+](=N3)[O-])CCC4=CC=C(C=C4)F

InChI

InChI=1S/C18H12FN3O3/c19-12-7-5-11(6-8-12)9-10-21-16-15(20-22(21)25)17(23)13-3-1-2-4-14(13)18(16)24/h1-8H,9-10H2