ethyl (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)aziridine-2-carboxylate

Systemtic Name: ethyl (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)aziridine-2-carboxylate Openeye Name: ethyl (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)aziridine-2-carboxylate CAS Name: (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)aziridine-2-carboxylate Traditional Name: (2S,3R)-1-(4-methoxyphenyl)-3-(trifluoromethyl)ethylenimine-2-carboxylic acid ethyl ester Formula: C13H14F3NO3 MolecularWeight: 289.25037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1C2=CC=C(C=C2)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](N1C2=CC=C(C=C2)OC)C(F)(F)F

InChI

InChI=1S/C13H14F3NO3/c1-3-20-12(18)10-11(13(14,15)16)17(10)8-4-6-9(19-2)7-5-8/h4-7,10-11H,3H2,1-2H3/t10-,11+,17?/m0/s1