(4-nitrophenyl)methyl 2-[(dimethylcarbamoylamino)methyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(dimethylcarbamoylamino)methyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(dimethylcarbamoylamino)methyl]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 2-[[[dimethylamino(oxo)methyl]amino]methyl]-4-hydroxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(dimethylcarbamoylamino)methyl]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 2-[(dimethylcarbamoylamino)methyl]-4-hydroxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CN(C)C(=O)NCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H22N4O6/c1-18(2)15(22)17-8-13-7-14(21)9-19(13)16(23)26-10-11-3-5-12(6-4-11)20(24)25/h3-6,13-14,21H,7-10H2,1-2H3,(H,17,22)