(2S)-1-(5-methoxy-2-nitro-4-oxidanyl-phenyl)carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(5-methoxy-2-nitro-4-oxidanyl-phenyl)carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(4-hydroxy-5-methoxy-2-nitro-benzoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(4-hydroxy-5-methoxy-2-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(4-hydroxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(4-hydroxy-5-methoxy-2-nitro-benzoyl)proline Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCC2C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC[C@H]2C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C13H14N2O7/c1-22-11-5-7(9(15(20)21)6-10(11)16)12(17)14-4-2-3-8(14)13(18)19/h5-6,8,16H,2-4H2,1H3,(H,18,19)/t8-/m0/s1