1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-nitrobenzoate

Systemtic Name: 1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-nitrobenzoate Openeye Name: 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C18H14FN3O5 MolecularWeight: 371.319263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])F

InChI

InChI=1S/C18H14FN3O5/c1-10-6-7-12(9-15(10)19)16-20-17(27-21-16)11(2)26-18(23)13-4-3-5-14(8-13)22(24)25/h3-9,11H,1-2H3