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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O5/c1-8-4-5-9(7-11(8)15(19)20)12(16)14-6-2-3-10(14)13(17)18/h4-5,7,10H,2-3,6H2,1H3,(H,17,18)/t10-/m0/s1