1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-nitro-3-(trifluoromethyl)phenyl]proline Formula: C12H11F3N2O4 MolecularWeight: 304.22195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N2O4/c13-12(14,15)8-6-7(3-4-9(8)17(20)21)16-5-1-2-10(16)11(18)19/h3-4,6,10H,1-2,5H2,(H,18,19)