(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O6/c25-20(29-13-18-21-22-19(30-18)14-4-2-1-3-5-14)16-12-15(24(26)27)6-7-17(16)23-8-10-28-11-9-23/h1-7,12H,8-11,13H2