[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C23H28ClN3O5 MolecularWeight: 461.93852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H28ClN3O5/c24-23-12-16-9-17(13-23)11-22(10-16,15-23)21(29)32-14-20(28)26-7-5-25(6-8-26)18-1-3-19(4-2-18)27(30)31/h1-4,16-17H,5-15H2