2-[[6,7-dimethoxy-3-nitro-2-oxidanylidene-4-(trifluoromethyl)quinolin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[6,7-dimethoxy-3-nitro-2-oxidanylidene-4-(trifluoromethyl)quinolin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6,7-dimethoxy-3-nitro-2-oxo-4-(trifluoromethyl)-1-quinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6,7-dimethoxy-3-nitro-2-oxo-4-(trifluoromethyl)-1-quinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6,7-dimethoxy-3-nitro-2-oxo-4-(trifluoromethyl)quinolin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-keto-6,7-dimethoxy-3-nitro-4-(trifluoromethyl)-1-quinolyl]methyl]isoindoline-1,3-quinone Formula: C21H14F3N3O7 MolecularWeight: 477.34697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C(=O)N2CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C(=O)N2CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C21H14F3N3O7/c1-33-14-7-12-13(8-15(14)34-2)25(20(30)17(27(31)32)16(12)21(22,23)24)9-26-18(28)10-5-3-4-6-11(10)19(26)29/h3-8H,9H2,1-2H3