(2R,4S)-1-(2-chloranyl-4-nitro-phenyl)-4-methoxy-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-(2-chloranyl-4-nitro-phenyl)-4-methoxy-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(2-chloro-4-nitro-phenyl)-4-methoxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(2-chloro-4-nitrophenyl)-4-methoxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(2-chloro-4-nitrophenyl)-4-methoxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(2-chloro-4-nitro-phenyl)-4-methoxy-pyrrolidine-2-carboxylate Formula: C12H12ClN2O5- MolecularWeight: 299.68708

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)[O-]

Isomeric SMILES

CO[C@H]1C[C@@H](N(C1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)[O-]

InChI

InChI=1S/C12H13ClN2O5/c1-20-8-5-11(12(16)17)14(6-8)10-3-2-7(15(18)19)4-9(10)13/h2-4,8,11H,5-6H2,1H3,(H,16,17)/p-1/t8-,11+/m0/s1