1-(4-bromanyl-3-nitro-phenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-bromanyl-3-nitro-phenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(4-bromo-3-nitro-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromo-3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-bromo-3-nitrobenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-bromo-3-nitro-benzoyl)proline Formula: C12H11BrN2O5 MolecularWeight: 343.13014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O5/c13-8-4-3-7(6-10(8)15(19)20)11(16)14-5-1-2-9(14)12(17)18/h3-4,6,9H,1-2,5H2,(H,17,18)