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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-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-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O5/c1-3-23(4-2)17-11-10-15(24(26)27)12-16(17)20(25)28-13-18-21-22-19(29-18)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3