2-(4-fluorophenyl)-7-nitro-4-[3-(trifluoromethyloxy)phenyl]phthalazin-1-one

Systemtic Name: 2-(4-fluorophenyl)-7-nitro-4-[3-(trifluoromethyloxy)phenyl]phthalazin-1-one Openeye Name: 2-(4-fluorophenyl)-7-nitro-4-[3-(trifluoromethoxy)phenyl]phthalazin-1-one CAS Name: 2-(4-fluorophenyl)-7-nitro-4-[3-(trifluoromethoxy)phenyl]-1-phthalazinone IUPAC Name: 2-(4-fluorophenyl)-7-nitro-4-[3-(trifluoromethoxy)phenyl]phthalazin-1-one Traditional Name: 2-(4-fluorophenyl)-7-nitro-4-[3-(trifluoromethoxy)phenyl]phthalazin-1-one Formula: C21H11F4N3O4 MolecularWeight: 445.323353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H11F4N3O4/c22-13-4-6-14(7-5-13)27-20(29)18-11-15(28(30)31)8-9-17(18)19(26-27)12-2-1-3-16(10-12)32-21(23,24)25/h1-11H