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

Systemtic Name: ethyl 2-(hydroxymethyl)-1-[(4-nitrophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: ethyl 4-hydroxy-2-(hydroxymethyl)-1-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylate CAS Name: 4-hydroxy-2-(hydroxymethyl)-1-[(4-nitrophenyl)methyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-2-(hydroxymethyl)-1-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylate Traditional Name: 4-hydroxy-2-methylol-1-(4-nitrobenzyl)pyrrolidine-2-carboxylic acid ethyl ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(CN1CC2=CC=C(C=C2)[N+](=O)[O-])O)CO

Isomeric SMILES

CCOC(=O)C1(CC(CN1CC2=CC=C(C=C2)[N+](=O)[O-])O)CO

InChI

InChI=1S/C15H20N2O6/c1-2-23-14(20)15(10-18)7-13(19)9-16(15)8-11-3-5-12(6-4-11)17(21)22/h3-6,13,18-19H,2,7-10H2,1H3