1-(2-methyl-6-nitro-phenyl)sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-methyl-6-nitro-phenyl)sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(2-methyl-6-nitro-phenyl)sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-(2-methyl-6-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-methyl-6-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-(2-methyl-6-nitro-phenyl)sulfonylproline Formula: C12H14N2O6S MolecularWeight: 314.31436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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