(4-nitrophenyl)methyl 2-(hydroxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(hydroxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(hydroxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(hydroxymethyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(hydroxymethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-methylol-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C13H16N2O5S/c16-7-11-5-12(21)6-14(11)13(17)20-8-9-1-3-10(4-2-9)15(18)19/h1-4,11-12,16,21H,5-8H2