tert-butyl 3-[(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl 3-[(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl 3-[(4-nitro-1-oxido-pyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[(4-nitro-1-oxido-3-pyridin-1-iumyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-nitro-1-oxidopyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[(4-nitro-1-oxido-pyridin-1-ium-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C17H24N4O5 MolecularWeight: 364.39626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC1CC(C2)NC3=C(C=C[N+](=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CCC1CC(C2)NC3=C(C=C[N+](=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5/c1-17(2,3)26-16(22)20-12-4-5-13(20)9-11(8-12)18-14-10-19(23)7-6-15(14)21(24)25/h6-7,10-13,18H,4-5,8-9H2,1-3H3