(4-nitrophenyl)methyl 3-sulfanylpiperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-sulfanylpiperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-sulfanylpiperidine-1-carboxylate CAS Name: 3-mercapto-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-sulfanylpiperidine-1-carboxylate Traditional Name: 3-mercaptopiperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1CC(CN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C13H16N2O4S/c16-13(14-7-1-2-12(20)8-14)19-9-10-3-5-11(6-4-10)15(17)18/h3-6,12,20H,1-2,7-9H2