(4-nitrophenyl)methyl 4-sulfanyl-2-(2H-1,2,3,4-tetrazol-5-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-sulfanyl-2-(2H-1,2,3,4-tetrazol-5-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-sulfanyl-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(2H-tetrazol-5-yl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-sulfanyl-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C13H14N6O4S MolecularWeight: 350.35306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C2=NNN=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C2=NNN=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C13H14N6O4S/c20-13(23-7-8-1-3-9(4-2-8)19(21)22)18-6-10(24)5-11(18)12-14-16-17-15-12/h1-4,10-11,24H,5-7H2,(H,14,15,16,17)