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

Systemtic Name: 5-[(4-bromanyl-3,5-dimethyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(4-bromo-3,5-dimethyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-bromo-3,5-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-bromo-3,5-dimethyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrN3O4/c1-10-7-14(8-11(2)16(10)18)24-9-15-19-17(20-25-15)12-3-5-13(6-4-12)21(22)23/h3-8H,9H2,1-2H3