5-[(2-bromanyl-4-tert-butyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(2-bromanyl-4-tert-butyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(2-bromo-4-tert-butyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[(2-bromo-4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(2-bromo-4-tert-butylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[(2-bromo-4-tert-butyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Formula: C19H18BrN3O4 MolecularWeight: 432.26792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O4/c1-19(2,3)13-6-9-16(15(20)10-13)26-11-17-21-18(22-27-17)12-4-7-14(8-5-12)23(24)25/h4-10H,11H2,1-3H3