1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)proline Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-21-12-6-9(11(16(19)20)7-13(12)22-2)8-15-5-3-4-10(15)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)