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

Systemtic Name: O1-tert-butyl O2-ethyl (2R,3S)-3-cyano-2-(trifluoromethyl)aziridine-1,2-dicarboxylate Openeye Name: O1-tert-butyl 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 O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 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-tert-butyl ester O2-ethyl ester Formula: C12H15F3N2O4 MolecularWeight: 308.25371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N1C(=O)OC(C)(C)C)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)[C@]1([C@H](N1C(=O)OC(C)(C)C)C#N)C(F)(F)F

InChI

InChI=1S/C12H15F3N2O4/c1-5-20-8(18)11(12(13,14)15)7(6-16)17(11)9(19)21-10(2,3)4/h7H,5H2,1-4H3/t7-,11-,17?/m1/s1