3-[4-nitro-2-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-nitro-2-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-quinone Formula: C15H8F3N3O4 MolecularWeight: 351.23693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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