1-(6-fluoranyl-3-nitro-pyridin-2-yl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(6-fluoranyl-3-nitro-pyridin-2-yl)-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(6-fluoro-3-nitro-2-pyridyl)piperazine-2-carboxylic acid CAS Name: 1-(6-fluoro-3-nitro-2-pyridinyl)-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(6-fluoro-3-nitropyridin-2-yl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(6-fluoro-3-nitro-2-pyridyl)piperazine-2-carboxylic acid Formula: C18H17FN4O6 MolecularWeight: 404.349183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C3=C(C=CC(=N3)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C3=C(C=CC(=N3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O6/c19-15-7-6-13(23(27)28)16(20-15)22-9-8-21(10-14(22)17(24)25)18(26)29-11-12-4-2-1-3-5-12/h1-7,14H,8-11H2,(H,24,25)