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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-2-oxidanidyl-benzo[f]benzotriazol-2-ium-4,9-dione Openeye Name: 3-[(4-fluorophenyl)methyl]-2-oxido-benzo[f]benzotriazol-2-ium-4,9-dione CAS Name: 3-[(4-fluorophenyl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione IUPAC Name: 3-[(4-fluorophenyl)methyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione Traditional Name: 3-(4-fluorobenzyl)-2-oxido-benzo[f]benzotriazol-2-ium-4,9-quinone Formula: C17H10FN3O3 MolecularWeight: 323.278003

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)F

Isomeric SMILES

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

InChI

InChI=1S/C17H10FN3O3/c18-11-7-5-10(6-8-11)9-20-15-14(19-21(20)24)16(22)12-3-1-2-4-13(12)17(15)23/h1-8H,9H2