1-(4-nitrophenoxy)carbonyl-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(4-nitrophenoxy)carbonyl-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-benzyl-1-(4-nitrophenoxy)carbonyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-[(4-nitrophenoxy)-oxomethyl]-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-benzyl-1-(4-nitrophenoxy)carbonylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-benzyl-1-(4-nitrophenoxy)carbonyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C19H19N2O6+ MolecularWeight: 371.36396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(CC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC([N+](C1)(CC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18N2O6/c22-18(23)17-7-4-12-21(17,13-14-5-2-1-3-6-14)19(24)27-16-10-8-15(9-11-16)20(25)26/h1-3,5-6,8-11,17H,4,7,12-13H2/p+1