methyl 4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]-2-(tritritiomethoxy)benzoate

Systemtic Name: methyl 4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]-2-(tritritiomethoxy)benzoate Openeye Name: methyl 4-[3-(trifluoromethyl)diazirin-3-yl]-2-(tritritiomethoxy)benzoate CAS Name: 4-[3-(trifluoromethyl)-3-diazirinyl]-2-(tritritiomethoxy)benzoic acid methyl ester IUPAC Name: methyl 4-[3-(trifluoromethyl)diazirin-3-yl]-2-(tritritiomethoxy)benzoate Traditional Name: 4-[3-(trifluoromethyl)diazirin-3-yl]-2-(tritritiomethoxy)benzoic acid methyl ester Formula: C11H9F3N2O3 MolecularWeight: 280.220297

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2(N=N2)C(F)(F)F)C(=O)OC

Isomeric SMILES

[3H]C([3H])([3H])OC1=C(C=CC(=C1)C2(N=N2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C11H9F3N2O3/c1-18-8-5-6(3-4-7(8)9(17)19-2)10(15-16-10)11(12,13)14/h3-5H,1-2H3/i1T3