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

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6/c1-14-2-4-15(5-3-14)20-22-19(31-23-20)13-30-21(26)16-6-7-17(18(12-16)25(27)28)24-8-10-29-11-9-24/h2-7,12H,8-11,13H2,1H3