2-adamantyl 4-(4-nitrophenyl)piperazine-1-carboxylate

Systemtic Name: 2-adamantyl 4-(4-nitrophenyl)piperazine-1-carboxylate Openeye Name: 2-adamantyl 4-(4-nitrophenyl)piperazine-1-carboxylate CAS Name: 4-(4-nitrophenyl)-1-piperazinecarboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 4-(4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-nitrophenyl)piperazine-1-carboxylic acid 2-adamantyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C21H27N3O4/c25-21(28-20-16-10-14-9-15(12-16)13-17(20)11-14)23-7-5-22(6-8-23)18-1-3-19(4-2-18)24(26)27/h1-4,14-17,20H,5-13H2