[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-nitro-benzoate

Systemtic Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12FN3O5 MolecularWeight: 357.292683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12FN3O5/c1-10-8-12(4-7-14(10)21(23)24)17(22)25-9-15-19-16(20-26-15)11-2-5-13(18)6-3-11/h2-8H,9H2,1H3