ethyl (2S,4S,5S)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,4S,5S)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,4S,5S)-4-nitro-5-phenyl-pyrrolidine-2-carboxylate CAS Name: (2S,4S,5S)-4-nitro-5-phenyl-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S,5S)-4-nitro-5-phenylpyrrolidine-2-carboxylate Traditional Name: (2S,4S,5S)-4-nitro-5-phenyl-pyrrolidine-2-carboxylic acid ethyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(N1)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@H]([C@@H](N1)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4/c1-2-19-13(16)10-8-11(15(17)18)12(14-10)9-6-4-3-5-7-9/h3-7,10-12,14H,2,8H2,1H3/t10-,11-,12-/m0/s1