ethyl 3-(5-chloranylpyridin-3-yl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl 3-(5-chloranylpyridin-3-yl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-(5-chloro-3-pyridyl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-(5-chloro-3-pyridinyl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(5-chloropyridin-3-yl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-(5-chloro-3-pyridyl)-3-nitro-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C15H18ClN3O4 MolecularWeight: 339.77412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O4/c1-2-23-14(20)18-12-3-4-13(18)7-15(6-12,19(21)22)10-5-11(16)9-17-8-10/h5,8-9,12-13H,2-4,6-7H2,1H3