1-(4-fluoranyl-3-nitro-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-fluoro-3-nitro-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-fluoro-3-nitrophenyl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-fluoro-3-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(4-fluoro-3-nitro-benzoyl)-4-hydroxy-proline Formula: C12H11FN2O6 MolecularWeight: 298.223943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN2O6/c13-8-2-1-6(3-9(8)15(20)21)11(17)14-5-7(16)4-10(14)12(18)19/h1-3,7,10,16H,4-5H2,(H,18,19)