(4-nitrophenyl)methyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(1-methyltetrazol-5-yl)thio]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H18N6O4S MolecularWeight: 378.40622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2CCCN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCC2CCCN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O4S/c1-19-14(16-17-18-19)26-10-13-3-2-8-20(13)15(22)25-9-11-4-6-12(7-5-11)21(23)24/h4-7,13H,2-3,8-10H2,1H3