(4-nitrophenyl)methyl 2-[[3-(hydroxymethyl)phenyl]methyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[3-(hydroxymethyl)phenyl]methyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-hydroxy-2-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-[[3-(hydroxymethyl)phenyl]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-hydroxy-2-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-(3-methylolbenzyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CC2=CC(=CC=C2)CO)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1CC2=CC(=CC=C2)CO)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H22N2O6/c23-12-16-3-1-2-15(8-16)9-18-10-19(24)11-21(18)20(25)28-13-14-4-6-17(7-5-14)22(26)27/h1-8,18-19,23-24H,9-13H2