1-nitro-4-phenylmethoxycarbonyl-3-pyridin-2-yl-piperazine-2-carboxylic acid

Systemtic Name: 1-nitro-4-phenylmethoxycarbonyl-3-pyridin-2-yl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-nitro-3-(2-pyridyl)piperazine-2-carboxylic acid CAS Name: 1-nitro-4-phenylmethoxycarbonyl-3-(2-pyridinyl)-2-piperazinecarboxylic acid IUPAC Name: 1-nitro-4-phenylmethoxycarbonyl-3-pyridin-2-ylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-nitro-3-(2-pyridyl)piperazine-2-carboxylic acid Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C(N1C(=O)OCC2=CC=CC=C2)C3=CC=CC=N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6/c23-17(24)16-15(14-8-4-5-9-19-14)20(10-11-21(16)22(26)27)18(25)28-12-13-6-2-1-3-7-13/h1-9,15-16H,10-12H2,(H,23,24)