methyl 5-iodanyl-2-oxidanyl-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate

Systemtic Name: methyl 5-iodanyl-2-oxidanyl-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate Openeye Name: methyl 2-hydroxy-5-iodo-4-[3-(trifluoromethyl)diazirin-3-yl]benzoate CAS Name: 2-hydroxy-5-iodo-4-[3-(trifluoromethyl)-3-diazirinyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-iodo-4-[3-(trifluoromethyl)diazirin-3-yl]benzoate Traditional Name: 2-hydroxy-5-iodo-4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid methyl ester Formula: C10H6F3IN2O3 MolecularWeight: 386.06592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1O)C2(N=N2)C(F)(F)F)I

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1O)C2(N=N2)C(F)(F)F)I

InChI

InChI=1S/C10H6F3IN2O3/c1-19-8(18)4-2-6(14)5(3-7(4)17)9(15-16-9)10(11,12)13/h2-3,17H,1H3