1-adamantylmethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: 1-adamantylmethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate Openeye Name: 1-adamantylmethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid 1-adamantylmethyl ester Formula: C23H28F3N3O4 MolecularWeight: 467.48133

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)OCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)OCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28F3N3O4/c24-23(25,26)18-1-2-19(20(10-18)29(31)32)27-3-5-28(6-4-27)21(30)33-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17H,3-9,11-14H2