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

Systemtic Name: 5-[(4-bromanyl-2-methyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(4-bromo-2-methyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[(4-bromo-2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-bromo-2-methylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[(4-bromo-2-methyl-phenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Formula: C16H12BrN3O4 MolecularWeight: 390.18818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN3O4/c1-10-8-12(17)4-7-14(10)23-9-15-18-16(19-24-15)11-2-5-13(6-3-11)20(21)22/h2-8H,9H2,1H3