(2R)-1-(4-cyano-2-nitro-phenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-(4-cyano-2-nitro-phenyl)pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-(4-cyano-2-nitro-phenyl)pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-(4-cyano-2-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-(4-cyano-2-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-(4-cyano-2-nitro-phenyl)proline Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H11N3O4/c13-7-8-3-4-9(11(6-8)15(18)19)14-5-1-2-10(14)12(16)17/h3-4,6,10H,1-2,5H2,(H,16,17)/t10-/m1/s1