tert-butyl 4-[(5-nitro-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-nitro-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(5-nitro-2-oxo-1H-pyridin-3-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(2-keto-5-nitro-1H-pyridine-3-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C15H20N4O6 MolecularWeight: 352.3425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CNC2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CNC2=O)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O6/c1-15(2,3)25-14(22)18-6-4-17(5-7-18)13(21)11-8-10(19(23)24)9-16-12(11)20/h8-9H,4-7H2,1-3H3,(H,16,20)