ethyl 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: ethyl 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: ethyl 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid ethyl ester Formula: C20H25F3N4O5 MolecularWeight: 458.43151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H25F3N4O5/c1-2-32-19(29)26-7-3-4-14(13-26)18(28)25-10-8-24(9-11-25)16-6-5-15(20(21,22)23)12-17(16)27(30)31/h5-6,12,14H,2-4,7-11,13H2,1H3