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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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