4-[4-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]benzoic acid

Systemtic Name: 4-[4-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]benzoic acid Openeye Name: 4-[4-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]benzoic acid CAS Name: 4-[4-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]benzoic acid IUPAC Name: 4-[4-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]benzoic acid Traditional Name: 4-[4-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]benzoic acid Formula: C21H13N3O6 MolecularWeight: 403.34442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)OC4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H13N3O6/c25-21(26)15-5-11-18(12-6-15)29-17-9-3-13(4-10-17)19-22-20(30-23-19)14-1-7-16(8-2-14)24(27)28/h1-12H,(H,25,26)