methyl 1-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H26F3N3O5 MolecularWeight: 457.44345

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H26F3N3O5/c1-32-19(29)20(9-3-2-4-10-20)25-18(28)14-7-11-26(12-8-14)16-6-5-15(21(22,23)24)13-17(16)27(30)31/h5-6,13-14H,2-4,7-12H2,1H3,(H,25,28)