(4-nitrophenyl)methyl 2-(azetidin-3-ylcarbamoyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(azetidin-3-ylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(azetidin-3-ylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 2-[(3-azetidinylamino)-oxomethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(azetidin-3-ylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 2-(azetidin-3-ylcarbamoyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3CNC3

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3CNC3

InChI

InChI=1S/C16H20N4O5/c21-15(18-12-8-17-9-12)14-2-1-7-19(14)16(22)25-10-11-3-5-13(6-4-11)20(23)24/h3-6,12,14,17H,1-2,7-10H2,(H,18,21)