(4-nitrophenyl)methyl 2-(3-cyanopropyl)-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-cyanopropyl)-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(3-cyanopropyl)-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 2-(3-cyanopropyl)-4-hydroxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-cyanopropyl)-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 2-(3-cyanopropyl)-4-hydroxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CCCC#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1CCCC#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H19N3O5/c17-8-2-1-3-14-9-15(20)10-18(14)16(21)24-11-12-4-6-13(7-5-12)19(22)23/h4-7,14-15,20H,1-3,9-11H2