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

Systemtic Name: ethyl (2S,4S,5S)-5-(2,4-dichlorophenyl)-4-nitro-pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,4S,5S)-5-(2,4-dichlorophenyl)-4-nitro-pyrrolidine-2-carboxylate CAS Name: (2S,4S,5S)-5-(2,4-dichlorophenyl)-4-nitro-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,4S,5S)-5-(2,4-dichlorophenyl)-4-nitropyrrolidine-2-carboxylate Traditional Name: (2S,4S,5S)-5-(2,4-dichlorophenyl)-4-nitro-pyrrolidine-2-carboxylic acid ethyl ester Formula: C13H14Cl2N2O4 MolecularWeight: 333.16726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Cl2N2O4/c1-2-21-13(18)10-6-11(17(19)20)12(16-10)8-4-3-7(14)5-9(8)15/h3-5,10-12,16H,2,6H2,1H3/t10-,11-,12-/m0/s1