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

Systemtic Name: phenyl 4-ethynyl-4-(4-fluoranyl-2-nitro-phenoxy)piperidine-1-carboxylate Openeye Name: phenyl 4-ethynyl-4-(4-fluoro-2-nitro-phenoxy)piperidine-1-carboxylate CAS Name: 4-ethynyl-4-(4-fluoro-2-nitrophenoxy)-1-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-ethynyl-4-(4-fluoro-2-nitrophenoxy)piperidine-1-carboxylate Traditional Name: 4-ethynyl-4-(4-fluoro-2-nitro-phenoxy)piperidine-1-carboxylic acid phenyl ester Formula: C20H17FN2O5 MolecularWeight: 384.357783

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCN(CC1)C(=O)OC2=CC=CC=C2)OC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C#CC1(CCN(CC1)C(=O)OC2=CC=CC=C2)OC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN2O5/c1-2-20(28-18-9-8-15(21)14-17(18)23(25)26)10-12-22(13-11-20)19(24)27-16-6-4-3-5-7-16/h1,3-9,14H,10-13H2