1-[(4-nitrophenyl)methyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[(4-nitrophenyl)methyl]piperazine-2-carboxylic acid CAS Name: 1-[(4-nitrophenyl)methyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(4-nitrobenzyl)piperazine-2-carboxylic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c24-19(25)18-13-22(20(26)29-14-16-4-2-1-3-5-16)11-10-21(18)12-15-6-8-17(9-7-15)23(27)28/h1-9,18H,10-14H2,(H,24,25)