1-[(2-methoxy-5-nitro-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-methoxy-5-nitro-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-methoxy-5-nitrophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-methoxy-5-nitro-benzyl)proline Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCCC2C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2CCCC2C(=O)O

InChI

InChI=1S/C13H16N2O5/c1-20-12-5-4-10(15(18)19)7-9(12)8-14-6-2-3-11(14)13(16)17/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,17)