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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CCN1C(=O)OC#C)OC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCC1CC(CCN1C(=O)OC#C)OC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17FN2O5/c1-3-12-10-13(7-8-18(12)16(20)23-4-2)24-15-6-5-11(17)9-14(15)19(21)22/h2,5-6,9,12-13H,3,7-8,10H2,1H3