(4-nitrophenyl)methyl 2-sulfanylpyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-sulfanylpyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-sulfanylpyrrolidine-1-carboxylate CAS Name: 2-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-mercaptopyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c15-12(13-7-1-2-11(13)19)18-8-9-3-5-10(6-4-9)14(16)17/h3-6,11,19H,1-2,7-8H2