(2S,4S)-1-(6-chloranyl-3-nitro-pyridin-2-yl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2S,4S)-1-(6-chloranyl-3-nitro-pyridin-2-yl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2S,4S)-1-(6-chloro-3-nitro-2-pyridyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxy-2-pyrrolidinecarboxylate IUPAC Name: (2S,4S)-1-(6-chloro-3-nitropyridin-2-yl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-(6-chloro-3-nitro-2-pyridyl)-4-hydroxy-pyrrolidine-2-carboxylate Formula: C10H9ClN3O5- MolecularWeight: 286.64856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)[O-])C2=C(C=CC(=N2)Cl)[N+](=O)[O-])O

Isomeric SMILES

C1[C@@H](CN([C@@H]1C(=O)[O-])C2=C(C=CC(=N2)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C10H10ClN3O5/c11-8-2-1-6(14(18)19)9(12-8)13-4-5(15)3-7(13)10(16)17/h1-2,5,7,15H,3-4H2,(H,16,17)/p-1/t5-,7-/m0/s1