1-(4-methyl-3-nitro-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-(4-methyl-3-nitro-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[(4-methyl-3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-(4-methyl-3-nitrobenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-(4-methyl-3-nitro-benzoyl)proline Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC(CC2C(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC(CC2C(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c1-7-2-3-8(4-10(7)15(20)21)12(17)14-6-9(16)5-11(14)13(18)19/h2-4,9,11,16H,5-6H2,1H3,(H,18,19)