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

Systemtic Name: 5-[(2-bromanyl-4-propan-2-yl-phenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(2-bromo-4-isopropyl-phenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(2-bromo-4-propan-2-ylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[(2-bromo-4-isopropyl-phenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O4/c1-11(2)12-6-7-16(15(19)9-12)25-10-17-20-18(21-26-17)13-4-3-5-14(8-13)22(23)24/h3-9,11H,10H2,1-2H3