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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-7-4-8(2-3-10(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)