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

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

Click to see the large picture

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)N2CCCC2C(=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)