(4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-ylmethoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H21N5O8S MolecularWeight: 455.44234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCC3=NC=NN3

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCC3=NC=NN3

InChI

InChI=1S/C17H21N5O8S/c1-31(26,27)30-15-6-14(9-28-10-16-18-11-19-20-16)21(7-15)17(23)29-8-12-2-4-13(5-3-12)22(24)25/h2-5,11,14-15H,6-10H2,1H3,(H,18,19,20)