(phenylmethyl) (2S,3R)-2-phenyl-3-(trifluoromethyl)aziridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-2-phenyl-3-(trifluoromethyl)aziridine-1-carboxylate Openeye Name: benzyl (2S,3R)-2-phenyl-3-(trifluoromethyl)aziridine-1-carboxylate CAS Name: (2S,3R)-2-phenyl-3-(trifluoromethyl)-1-aziridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-2-phenyl-3-(trifluoromethyl)aziridine-1-carboxylate Traditional Name: (2S,3R)-2-phenyl-3-(trifluoromethyl)ethylenimine-1-carboxylic acid benzyl ester Formula: C17H14F3NO2 MolecularWeight: 321.29377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C(C2C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2[C@H]([C@@H]2C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C17H14F3NO2/c18-17(19,20)15-14(13-9-5-2-6-10-13)21(15)16(22)23-11-12-7-3-1-4-8-12/h1-10,14-15H,11H2/t14-,15+,21?/m0/s1