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

Systemtic Name: 7-nitro-4-[3-(trifluoromethyloxy)phenyl]-2H-phthalazin-1-one Openeye Name: 7-nitro-4-[3-(trifluoromethoxy)phenyl]-2H-phthalazin-1-one CAS Name: 7-nitro-4-[3-(trifluoromethoxy)phenyl]-2H-phthalazin-1-one IUPAC Name: 7-nitro-4-[3-(trifluoromethoxy)phenyl]-2H-phthalazin-1-one Traditional Name: 7-nitro-4-[3-(trifluoromethoxy)phenyl]-2H-phthalazin-1-one Formula: C15H8F3N3O4 MolecularWeight: 351.23693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H8F3N3O4/c16-15(17,18)25-10-3-1-2-8(6-10)13-11-5-4-9(21(23)24)7-12(11)14(22)20-19-13/h1-7H,(H,20,22)