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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl

InChI

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