2-fluoranyl-4-[5-(3-nitro-4-piperidin-1-yl-phenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

Systemtic Name: 2-fluoranyl-4-[5-(3-nitro-4-piperidin-1-yl-phenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 2-fluoro-4-[5-[3-nitro-4-(1-piperidyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 2-fluoro-4-[5-[3-nitro-4-(1-piperidinyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 2-fluoro-4-[5-(3-nitro-4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 2-fluoro-4-[5-(3-nitro-4-piperidino-phenyl)-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C20H17FN4O5 MolecularWeight: 412.371183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC(=C(C=C4)C(=O)O)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC(=C(C=C4)C(=O)O)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O5/c21-15-10-12(4-6-14(15)20(26)27)18-22-19(30-23-18)13-5-7-16(17(11-13)25(28)29)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,26,27)