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

Systemtic Name: methyl 4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate Openeye Name: methyl 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate CAS Name: 4-[3-(trifluoromethyl)-3-diazirinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate Traditional Name: 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid methyl ester Formula: C10H7F3N2O2 MolecularWeight: 244.16999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7F3N2O2/c1-17-8(16)6-2-4-7(5-3-6)9(14-15-9)10(11,12)13/h2-5H,1H3