ethyl 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-(2-nitro-4-triflyl-phenyl)isonipecotic acid ethyl ester Formula: C15H17F3N2O6S MolecularWeight: 410.36549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17F3N2O6S/c1-2-26-14(21)10-5-7-19(8-6-10)12-4-3-11(9-13(12)20(22)23)27(24,25)15(16,17)18/h3-4,9-10H,2,5-8H2,1H3