1-[2-(3-chloranyl-2-nitro-phenoxy)sulfonylphenyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(3-chloranyl-2-nitro-phenoxy)sulfonylphenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(3-chloro-2-nitro-phenoxy)sulfonylphenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(3-chloro-2-nitrophenoxy)sulfonylphenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(3-chloro-2-nitrophenoxy)sulfonylphenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(3-chloro-2-nitro-phenoxy)sulfonylphenyl]proline Formula: C17H15ClN2O7S MolecularWeight: 426.8282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=CC=C2S(=O)(=O)OC3=C(C(=CC=C3)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)C2=CC=CC=C2S(=O)(=O)OC3=C(C(=CC=C3)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H15ClN2O7S/c18-11-5-3-8-14(16(11)20(23)24)27-28(25,26)15-9-2-1-6-12(15)19-10-4-7-13(19)17(21)22/h1-3,5-6,8-9,13H,4,7,10H2,(H,21,22)