tert-butyl (2S)-2-[(E)-2-cyano-2-(4-nitrophenyl)-1-oxidanyl-ethenyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(E)-2-cyano-2-(4-nitrophenyl)-1-oxidanyl-ethenyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(E)-2-cyano-1-hydroxy-2-(4-nitrophenyl)vinyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(E)-2-cyano-1-hydroxy-2-(4-nitrophenyl)ethenyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(E)-2-cyano-1-hydroxy-2-(4-nitrophenyl)ethenyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(E)-2-cyano-1-hydroxy-2-(4-nitrophenyl)vinyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1/C(=C(\C#N)/C2=CC=C(C=C2)[N+](=O)[O-])/O

InChI

InChI=1S/C18H21N3O5/c1-18(2,3)26-17(23)20-10-4-5-15(20)16(22)14(11-19)12-6-8-13(9-7-12)21(24)25/h6-9,15,22H,4-5,10H2,1-3H3/b16-14-/t15-/m0/s1