2-[2,6-dinitro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]isoindoline-1,3-dione CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]isoindole-1,3-dione Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]isoindoline-1,3-quinone Formula: C15H6F3N3O6 MolecularWeight: 381.21985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H6F3N3O6/c16-15(17,18)7-5-10(20(24)25)12(11(6-7)21(26)27)19-13(22)8-3-1-2-4-9(8)14(19)23/h1-6H