ethyl N-[2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-5-nitro-phenyl]carbamate

Systemtic Name: ethyl N-[2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-5-nitro-phenyl]carbamate Openeye Name: ethyl N-[5-nitro-2-(quinuclidin-3-ylcarbamoyl)phenyl]carbamate CAS Name: N-[2-[(1-azabicyclo[2.2.2]octan-3-ylamino)-oxomethyl]-5-nitrophenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)-5-nitrophenyl]carbamate Traditional Name: N-[5-nitro-2-(quinuclidin-3-ylcarbamoyl)phenyl]carbamic acid ethyl ester Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NC2CN3CCC2CC3

Isomeric SMILES

CCOC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NC2CN3CCC2CC3

InChI

InChI=1S/C17H22N4O5/c1-2-26-17(23)19-14-9-12(21(24)25)3-4-13(14)16(22)18-15-10-20-7-5-11(15)6-8-20/h3-4,9,11,15H,2,5-8,10H2,1H3,(H,18,22)(H,19,23)