(4-nitrophenyl)methyl 2-(dimethylaminomethylidenecarbamoyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(dimethylaminomethylidenecarbamoyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(dimethylaminomethylenecarbamoyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[(dimethylaminomethylideneamino)-oxomethyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(dimethylaminomethylidenecarbamoyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-(dimethylaminomethylenecarbamoyl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H22N4O8S MolecularWeight: 442.44358

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CN(C)C=NC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C17H22N4O8S/c1-19(2)11-18-16(22)15-8-14(29-30(3,26)27)9-20(15)17(23)28-10-12-4-6-13(7-5-12)21(24)25/h4-7,11,14-15H,8-10H2,1-3H3