4,5-bis(oxidanyl)-2-[[3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 4,5-bis(oxidanyl)-2-[[3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methyl]isoindole-1,3-dione Openeye Name: 4,5-dihydroxy-2-[[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 4,5-dihydroxy-2-[[3-[3-(trifluoromethyl)-3-diazirinyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 4,5-dihydroxy-2-[[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 4,5-dihydroxy-2-[3-[3-(trifluoromethyl)diazirin-3-yl]benzyl]isoindoline-1,3-quinone Formula: C17H10F3N3O4 MolecularWeight: 377.27421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=C(C=C3)O)O)C4(N=N4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=O)C3=C(C2=O)C(=C(C=C3)O)O)C4(N=N4)C(F)(F)F

InChI

InChI=1S/C17H10F3N3O4/c18-17(19,20)16(21-22-16)9-3-1-2-8(6-9)7-23-14(26)10-4-5-11(24)13(25)12(10)15(23)27/h1-6,24-25H,7H2