2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[3,5-bis(trifluoromethyl)anilino]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[3,5-bis(trifluoromethyl)anilino]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[3,5-bis(trifluoromethyl)anilino]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[3,5-bis(trifluoromethyl)anilino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H9F6N3O4 MolecularWeight: 433.261479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CNC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CNC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H9F6N3O4/c18-16(19,20)8-3-9(17(21,22)23)5-10(4-8)24-7-25-14(27)12-2-1-11(26(29)30)6-13(12)15(25)28/h1-6,24H,7H2