1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(3-methylbutoxy)benzoate

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(3-methylbutoxy)benzoate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c1-14(2)12-13-29-19-10-6-17(7-11-19)22(26)30-15(3)20-23-24-21(31-20)16-4-8-18(9-5-16)25(27)28/h4-11,14-15H,12-13H2,1-3H3