(4-nitrophenyl)methyl 2-(pyrazol-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(pyrazol-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(pyrazol-1-ylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(1-pyrazolylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(pyrazol-1-ylmethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN2C=CC=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CN2C=CC=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H18N4O4S/c21-16(24-11-12-2-4-13(5-3-12)20(22)23)19-10-15(25)8-14(19)9-18-7-1-6-17-18/h1-7,14-15,25H,8-11H2