(4-nitrophenyl)methyl 2-(cyanomethyl)-4-(phenylcarbonyloxy)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(cyanomethyl)-4-(phenylcarbonyloxy)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-benzoyloxy-2-(cyanomethyl)pyrrolidine-1-carboxylate CAS Name: 4-benzoyloxy-2-(cyanomethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-benzoyloxy-2-(cyanomethyl)pyrrolidine-1-carboxylate Traditional Name: 4-benzoyloxy-2-(cyanomethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H19N3O6 MolecularWeight: 409.39206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CC#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(CN(C1CC#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O6/c22-11-10-18-12-19(30-20(25)16-4-2-1-3-5-16)13-23(18)21(26)29-14-15-6-8-17(9-7-15)24(27)28/h1-9,18-19H,10,12-14H2