1-(4-ethylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-ethylsulfonyl-2-nitro-phenyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(4-ethylsulfonyl-2-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-ethylsulfonyl-2-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-esyl-2-nitro-phenyl)proline Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6S/c1-2-22(20,21)9-5-6-10(12(8-9)15(18)19)14-7-3-4-11(14)13(16)17/h5-6,8,11H,2-4,7H2,1H3,(H,16,17)