1-(2-nitropyridin-3-yl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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