1-[2,4-bis(fluoranyl)-5-nitro-phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)-5-nitro-phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2,4-difluoro-5-nitro-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-difluoro-5-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2,4-difluoro-5-nitrobenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2,4-difluoro-5-nitro-benzoyl)proline Formula: C12H10F2N2O5 MolecularWeight: 300.215006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=C(C=C2F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=C(C=C2F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H10F2N2O5/c13-7-5-8(14)10(16(20)21)4-6(7)11(17)15-3-1-2-9(15)12(18)19/h4-5,9H,1-3H2,(H,18,19)