1-azabicyclo[2.2.2]octan-3-yl 4-(2-chloranyl-4-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 4-(2-chloranyl-4-nitro-phenyl)piperazine-1-carboxylate Openeye Name: quinuclidin-3-yl 4-(2-chloro-4-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(2-chloro-4-nitrophenyl)-1-piperazinecarboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 4-(2-chloro-4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-4-nitro-phenyl)piperazine-1-carboxylic acid quinuclidin-3-yl ester Formula: C18H23ClN4O4 MolecularWeight: 394.85262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H23ClN4O4/c19-15-11-14(23(25)26)1-2-16(15)21-7-9-22(10-8-21)18(24)27-17-12-20-5-3-13(17)4-6-20/h1-2,11,13,17H,3-10,12H2