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

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-butylbenzoate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-butylbenzoate CAS Name: 4-butylbenzoic 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-butylbenzoate Traditional Name: 4-butylbenzoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-3-4-5-15-6-8-17(9-7-15)21(25)28-14(2)19-22-23-20(29-19)16-10-12-18(13-11-16)24(26)27/h6-14H,3-5H2,1-2H3