(2R,4S)-1-(2-cyano-4-nitro-phenyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-(2-cyano-4-nitro-phenyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(2-cyano-4-nitro-phenyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(2-cyano-4-nitrophenyl)-4-hydroxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(2-cyano-4-nitrophenyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(2-cyano-4-nitro-phenyl)-4-hydroxy-pyrrolidine-2-carboxylate Formula: C12H10N3O5- MolecularWeight: 276.2249

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5/c13-5-7-3-8(15(19)20)1-2-10(7)14-6-9(16)4-11(14)12(17)18/h1-3,9,11,16H,4,6H2,(H,17,18)/p-1/t9-,11+/m0/s1