(2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2,4-dinitro-6-(trifluoromethyl)phenyl]proline Formula: C12H10F3N3O6 MolecularWeight: 349.21951

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H10F3N3O6/c13-12(14,15)7-4-6(17(21)22)5-9(18(23)24)10(7)16-3-1-2-8(16)11(19)20/h4-5,8H,1-3H2,(H,19,20)/t8-/m0/s1