ethyl 3-(5-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl 3-(5-chloranyl-1-oxidanidyl-pyridin-1-ium-3-yl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-(5-chloro-1-oxido-pyridin-1-ium-3-yl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-(5-chloro-1-oxido-3-pyridin-1-iumyl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(5-chloro-1-oxidopyridin-1-ium-3-yl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-(5-chloro-1-oxido-pyridin-1-ium-3-yl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C15H18ClN3O5 MolecularWeight: 355.77352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC1CC(C2)(C3=CC(=C[N+](=C3)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1C2CCC1CC(C2)(C3=CC(=C[N+](=C3)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H18ClN3O5/c1-2-24-14(20)18-12-3-4-13(18)7-15(6-12,19(22)23)10-5-11(16)9-17(21)8-10/h5,8-9,12-13H,2-4,6-7H2,1H3