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

Systemtic Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O6/c21-15-4-1-13(2-5-15)19-22-18(31-23-19)12-30-20(26)14-3-6-16(17(11-14)25(27)28)24-7-9-29-10-8-24/h1-6,11H,7-10,12H2