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

Systemtic Name: (2S)-1-(3-methyl-4-nitro-phenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(3-methyl-4-nitro-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(3-methyl-4-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(3-methyl-4-nitro-benzoyl)proline Formula: C13H14N2O5 MolecularWeight: 278.26066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC[C@H]2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5/c1-8-7-9(4-5-10(8)15(19)20)12(16)14-6-2-3-11(14)13(17)18/h4-5,7,11H,2-3,6H2,1H3,(H,17,18)/t11-/m0/s1