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

Systemtic Name: ethyl 1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]isonipecotic acid ethyl ester Formula: C21H26F3N3O5 MolecularWeight: 457.44345

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H26F3N3O5/c1-2-32-20(29)15-7-11-26(12-8-15)19(28)14-5-9-25(10-6-14)17-4-3-16(21(22,23)24)13-18(17)27(30)31/h3-4,13-15H,2,5-12H2,1H3