1-(4-methyl-3-nitro-phenyl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(4-methyl-3-nitro-phenyl)sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-(4-methyl-3-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-methyl-3-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-(4-methyl-3-nitro-phenyl)sulfonylproline Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-8-4-5-9(7-11(8)14(17)18)21(19,20)13-6-2-3-10(13)12(15)16/h4-5,7,10H,2-3,6H2,1H3,(H,15,16)