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

Systemtic Name: (2R,4S)-1-(4-chloranyl-2-nitro-phenyl)-4-methoxy-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(4-chloro-2-nitro-phenyl)-4-methoxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-chloro-2-nitrophenyl)-4-methoxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(4-chloro-2-nitrophenyl)-4-methoxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-chloro-2-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)Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

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