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

Systemtic Name: methyl 2-methoxy-4-[(3S)-3-(trifluoromethyl)-1,2-diazirin-1-ium-3-yl]benzoate Openeye Name: methyl 2-methoxy-4-[(3S)-3-(trifluoromethyl)diazirin-1-ium-3-yl]benzoate CAS Name: 2-methoxy-4-[(3S)-3-(trifluoromethyl)-3-diazirin-1-iumyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-4-[(3S)-3-(trifluoromethyl)diazirin-1-ium-3-yl]benzoate Traditional Name: 2-methoxy-4-[(3S)-3-(trifluoromethyl)diazirin-1-ium-3-yl]benzoic acid methyl ester Formula: C11H10F3N2O3+ MolecularWeight: 275.20391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2([NH+]=N2)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)[C@]2([NH+]=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/p+1