O2-ethyl O1-(phenylmethyl) (2R,3S)-3-cyano-2-(trifluoromethyl)aziridine-1,2-dicarboxylate

Systemtic Name: O2-ethyl O1-(phenylmethyl) (2R,3S)-3-cyano-2-(trifluoromethyl)aziridine-1,2-dicarboxylate Openeye Name: O1-benzyl O2-ethyl (2R,3S)-3-cyano-2-(trifluoromethyl)aziridine-1,2-dicarboxylate CAS Name: (2R,3S)-3-cyano-2-(trifluoromethyl)aziridine-1,2-dicarboxylic acid O2-ethyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-ethyl (2R,3S)-3-cyano-2-(trifluoromethyl)aziridine-1,2-dicarboxylate Traditional Name: (2R,3S)-3-cyano-2-(trifluoromethyl)ethylenimine-1,2-dicarboxylic acid O1-benzyl ester O2-ethyl ester Formula: C15H13F3N2O4 MolecularWeight: 342.26993

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N1C(=O)OCC2=CC=CC=C2)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@]1([C@H](N1C(=O)OCC2=CC=CC=C2)C#N)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O4/c1-2-23-12(21)14(15(16,17)18)11(8-19)20(14)13(22)24-9-10-6-4-3-5-7-10/h3-7,11H,2,9H2,1H3/t11-,14-,20?/m1/s1