2-(1-adamantyl)ethyl 4-(2-chloranyl-6-nitro-phenyl)piperazine-1-carboxylate

Systemtic Name: 2-(1-adamantyl)ethyl 4-(2-chloranyl-6-nitro-phenyl)piperazine-1-carboxylate Openeye Name: 2-(1-adamantyl)ethyl 4-(2-chloro-6-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(2-chloro-6-nitrophenyl)-1-piperazinecarboxylic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 4-(2-chloro-6-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-6-nitro-phenyl)piperazine-1-carboxylic acid 2-(1-adamantyl)ethyl ester Formula: C23H30ClN3O4 MolecularWeight: 447.955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)OCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=O)OCCC34CC5CC(C3)CC(C5)C4

InChI

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