(4-nitrophenyl)methyl (2S,5R)-5-benzamido-1-carbonochloridoyl-piperidine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,5R)-5-benzamido-1-carbonochloridoyl-piperidine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5R)-5-benzamido-1-chlorocarbonyl-piperidine-2-carboxylate CAS Name: (2S,5R)-5-benzamido-1-carbonochloridoyl-2-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,5R)-5-benzamido-1-carbonochloridoylpiperidine-2-carboxylate Traditional Name: (2S,5R)-5-benzamido-1-chlorocarbonyl-pipecolinic acid (4-nitrobenzyl) ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CC1NC(=O)C2=CC=CC=C2)C(=O)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](N(C[C@@H]1NC(=O)C2=CC=CC=C2)C(=O)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O6/c22-21(28)24-12-16(23-19(26)15-4-2-1-3-5-15)8-11-18(24)20(27)31-13-14-6-9-17(10-7-14)25(29)30/h1-7,9-10,16,18H,8,11-13H2,(H,23,26)/t16-,18+/m1/s1