(2S)-1-(2-methyl-3-nitro-phenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-(2-methyl-3-nitro-phenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-(2-methyl-3-nitro-phenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-methyl-3-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-(2-methyl-3-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-methyl-3-nitro-phenyl)sulfonylpyrrolidine-2-carboxylate Formula: C12H13N2O6S- MolecularWeight: 313.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)N2CCCC2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N2CCC[C@H]2C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-8-9(14(17)18)4-2-6-11(8)21(19,20)13-7-3-5-10(13)12(15)16/h2,4,6,10H,3,5,7H2,1H3,(H,15,16)/p-1/t10-/m0/s1