ethyl 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25F3N4O5 MolecularWeight: 458.43151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H25F3N4O5/c1-2-32-19(29)26-11-9-25(10-12-26)18(28)14-5-7-24(8-6-14)16-4-3-15(20(21,22)23)13-17(16)27(30)31/h3-4,13-14H,2,5-12H2,1H3