4-ethyl-1-(4-nitrophenyl)sulfonyl-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-ethyl-1-(4-nitrophenyl)sulfonyl-5-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 4-ethyl-1-(4-nitrophenyl)sulfonyl-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: 4-ethyl-1-(4-nitrophenyl)sulfonyl-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: 4-ethyl-1-(4-nitrophenyl)sulfonyl-5-oxopyrrolidine-2-carboxylic acid Traditional Name: 4-ethyl-5-keto-1-nosyl-proline Formula: C13H14N2O7S MolecularWeight: 342.32446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(N(C1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1CC(N(C1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N2O7S/c1-2-8-7-11(13(17)18)14(12(8)16)23(21,22)10-5-3-9(4-6-10)15(19)20/h3-6,8,11H,2,7H2,1H3,(H,17,18)