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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5/c1-21(2)14-9-8-13(10-15(14)22(24)25)18(23)26-11-16-19-17(20-27-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3