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

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-chloro-4-nitro-benzoyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-chloro-4-nitrophenyl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-chloro-4-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(2-chloro-4-nitro-benzoyl)-4-hydroxy-proline Formula: C12H11ClN2O6 MolecularWeight: 314.67854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O6/c13-9-3-6(15(20)21)1-2-8(9)11(17)14-5-7(16)4-10(14)12(18)19/h1-3,7,10,16H,4-5H2,(H,18,19)