tert-butyl 1-(4-ethoxycarbonylphenoxy)-2-[(4-nitrophenyl)carbonyloxymethyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(4-ethoxycarbonylphenoxy)-2-[(4-nitrophenyl)carbonyloxymethyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-ethoxycarbonylphenoxy)-2-[(4-nitrobenzoyl)oxymethyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(4-ethoxycarbonylphenoxy)-2-[[(4-nitrophenyl)-oxomethoxy]methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-ethoxycarbonylphenoxy)-2-[(4-nitrobenzoyl)oxymethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(4-carbethoxyphenoxy)-2-[(4-nitrobenzoyl)oxymethyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C26H31N2O9+ MolecularWeight: 515.53234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)O[N+]2(CCCC2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)O[N+]2(CCCC2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C26H31N2O9/c1-5-34-23(29)19-10-14-22(15-11-19)37-28(25(31)36-26(2,3)4)16-6-7-21(28)17-35-24(30)18-8-12-20(13-9-18)27(32)33/h8-15,21H,5-7,16-17H2,1-4H3/q+1