ethyl 4-ethynyl-4-[2-nitro-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate

Systemtic Name: ethyl 4-ethynyl-4-[2-nitro-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate Openeye Name: ethyl 4-ethynyl-4-[2-nitro-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate CAS Name: 4-ethynyl-4-[2-nitro-4-(trifluoromethyl)phenoxy]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethynyl-4-[2-nitro-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate Traditional Name: 4-ethynyl-4-[2-nitro-4-(trifluoromethyl)phenoxy]piperidine-1-carboxylic acid ethyl ester Formula: C17H17F3N2O5 MolecularWeight: 386.32249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)(C#C)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)(C#C)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F3N2O5/c1-3-16(7-9-21(10-8-16)15(23)26-4-2)27-14-6-5-12(17(18,19)20)11-13(14)22(24)25/h1,5-6,11H,4,7-10H2,2H3