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

Systemtic Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid (3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CC=CC=C3OCC

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NO2)C3=CC=CC=C3OCC

InChI

InChI=1S/C22H24N4O6/c1-4-25(5-2)18-12-11-15(26(28)29)13-17(18)22(27)31-14-20-23-21(24-32-20)16-9-7-8-10-19(16)30-6-3/h7-13H,4-6,14H2,1-3H3