1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-(4-methylsulfanyl-3-nitro-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-methylsulfanyl-3-nitrobenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(methylthio)-3-nitro-benzoyl]proline Formula: C13H14N2O5S MolecularWeight: 310.32566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCCC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCCC2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5S/c1-21-11-5-4-8(7-10(11)15(19)20)12(16)14-6-2-3-9(14)13(17)18/h4-5,7,9H,2-3,6H2,1H3,(H,17,18)