ethyl 7-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]-7-azabicyclo[4.1.0]heptane-4-carboxylate

Systemtic Name: ethyl 7-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]-7-azabicyclo[4.1.0]heptane-4-carboxylate Openeye Name: ethyl 7-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-7-azabicyclo[4.1.0]heptane-4-carboxylate CAS Name: 7-[2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]-7-azabicyclo[4.1.0]heptane-4-carboxylic acid ethyl ester IUPAC Name: ethyl 7-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-7-azabicyclo[4.1.0]heptane-4-carboxylate Traditional Name: 7-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-7-azabicyclo[4.1.0]heptane-4-carboxylic acid ethyl ester Formula: C15H22N4O5 MolecularWeight: 338.35898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2C(C1)N2CC(CN3C=CN=C3[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1CCC2C(C1)N2CC(CN3C=CN=C3[N+](=O)[O-])O

InChI

InChI=1S/C15H22N4O5/c1-2-24-14(21)10-3-4-12-13(7-10)18(12)9-11(20)8-17-6-5-16-15(17)19(22)23/h5-6,10-13,20H,2-4,7-9H2,1H3