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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#COC(=O)N1CCC(CC1C2=CC=CC=C2)OC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C#COC(=O)N1CCC(CC1C2=CC=CC=C2)OC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

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