5,8-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5,8-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 5,8-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione CAS Name: 5,8-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 5,8-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 5,8-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-quinone Formula: C19H8F3N3O6 MolecularWeight: 431.27853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H8F3N3O6/c20-19(21,22)10-2-1-3-11(6-10)23-17(26)14-7-12(24(28)29)4-9-5-13(25(30)31)8-15(16(9)14)18(23)27/h1-8H