ethyl (2S)-1-(2-nitrophenyl)-3-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-(2-nitrophenyl)-3-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-3-hydroxy-1-(2-nitrophenyl)pyrrolidine-2-carboxylate CAS Name: (2S)-3-hydroxy-1-(2-nitrophenyl)-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-3-hydroxy-1-(2-nitrophenyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-3-hydroxy-1-(2-nitrophenyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CCN1C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)[C@@H]1C(CCN1C2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C13H16N2O5/c1-2-20-13(17)12-11(16)7-8-14(12)9-5-3-4-6-10(9)15(18)19/h3-6,11-12,16H,2,7-8H2,1H3/t11?,12-/m0/s1