6,7-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6,7-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 6,7-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione CAS Name: 6,7-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6,7-dinitro-2-[3-(trifluoromethyl)phenyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 6,7-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=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)C(F)(F)F

InChI

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