2-(1-adamantyl)ethyl 4-(4-chloranyl-2-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: 2-(1-adamantyl)ethyl 4-(4-chloranyl-2-nitro-phenyl)piperazine-1-carboxylate Openeye Name: 2-(1-adamantyl)ethyl 4-(4-chloro-2-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(4-chloro-2-nitrophenyl)-1-piperazinecarboxylic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 4-(4-chloro-2-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-chloro-2-nitro-phenyl)piperazine-1-carboxylic acid 2-(1-adamantyl)ethyl ester Formula: C23H30ClN3O4 MolecularWeight: 447.955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30ClN3O4/c24-19-1-2-20(21(12-19)27(29)30)25-4-6-26(7-5-25)22(28)31-8-3-23-13-16-9-17(14-23)11-18(10-16)15-23/h1-2,12,16-18H,3-11,13-15H2