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

Systemtic Name: 1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-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 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C22H21FN4O6 MolecularWeight: 456.423743

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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(=C(C=C3)N4CCOCC4)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)C(C)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])F

InChI

InChI=1S/C22H21FN4O6/c1-13-3-4-15(11-17(13)23)20-24-21(33-25-20)14(2)32-22(28)16-5-6-18(19(12-16)27(29)30)26-7-9-31-10-8-26/h3-6,11-12,14H,7-10H2,1-2H3