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

Systemtic Name: 1-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-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 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid 1-[3-(3-fluoro-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C21H20FN3O7 MolecularWeight: 445.397803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C2=NC(=NO2)C3=CC(=C(C=C3)C)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C2=NC(=NO2)C3=CC(=C(C=C3)C)F)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20FN3O7/c1-5-30-18-9-14(16(25(27)28)10-17(18)29-4)21(26)31-12(3)20-23-19(24-32-20)13-7-6-11(2)15(22)8-13/h6-10,12H,5H2,1-4H3