4-ethynyl-4-(4-fluoranyl-2-nitro-phenoxy)piperidine-1-carbaldehyde

Systemtic Name: 4-ethynyl-4-(4-fluoranyl-2-nitro-phenoxy)piperidine-1-carbaldehyde Openeye Name: 4-ethynyl-4-(4-fluoro-2-nitro-phenoxy)piperidine-1-carbaldehyde CAS Name: 4-ethynyl-4-(4-fluoro-2-nitrophenoxy)-1-piperidinecarboxaldehyde IUPAC Name: 4-ethynyl-4-(4-fluoro-2-nitrophenoxy)piperidine-1-carbaldehyde Traditional Name: 4-ethynyl-4-(4-fluoro-2-nitro-phenoxy)piperidine-1-carbaldehyde Formula: C14H13FN2O4 MolecularWeight: 292.262423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN2O4/c1-2-14(5-7-16(10-18)8-6-14)21-13-4-3-11(15)9-12(13)17(19)20/h1,3-4,9-10H,5-8H2