ethyl 4-ethynyl-4-(4-fluoranyl-2-nitro-phenoxy)piperidine-1-carboxylate

Systemtic Name: ethyl 4-ethynyl-4-(4-fluoranyl-2-nitro-phenoxy)piperidine-1-carboxylate Openeye Name: ethyl 4-ethynyl-4-(4-fluoro-2-nitro-phenoxy)piperidine-1-carboxylate CAS Name: 4-ethynyl-4-(4-fluoro-2-nitrophenoxy)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethynyl-4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate Traditional Name: 4-ethynyl-4-(4-fluoro-2-nitro-phenoxy)piperidine-1-carboxylic acid ethyl ester Formula: C16H17FN2O5 MolecularWeight: 336.314983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O5/c1-3-16(7-9-18(10-8-16)15(20)23-4-2)24-14-6-5-12(17)11-13(14)19(21)22/h1,5-6,11H,4,7-10H2,2H3