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

Systemtic Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-nitro-4-(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)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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