methyl 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]isonipecotic acid methyl ester Formula: C14H14F3N3O6 MolecularWeight: 377.27267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H14F3N3O6/c1-26-13(21)8-2-4-18(5-3-8)12-10(19(22)23)6-9(14(15,16)17)7-11(12)20(24)25/h6-8H,2-5H2,1H3