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

Systemtic Name: ethyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H27F3N4O5 MolecularWeight: 472.45809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H27F3N4O5/c1-2-33-20(30)27-11-7-16(8-12-27)25-19(29)14-5-9-26(10-6-14)17-4-3-15(21(22,23)24)13-18(17)28(31)32/h3-4,13-14,16H,2,5-12H2,1H3,(H,25,29)