tert-butyl 3-[(3-nitropyridin-4-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl 3-[(3-nitropyridin-4-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl 3-[(3-nitro-4-pyridyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[(3-nitro-4-pyridinyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3-nitropyridin-4-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[(3-nitro-4-pyridyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4/c1-17(2,3)25-16(22)20-12-4-5-13(20)9-11(8-12)19-14-6-7-18-10-15(14)21(23)24/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,18,19)