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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O4/c1-10-8-15(11(2)12(3)17(10)19)25-9-16-20-18(21-26-16)13-4-6-14(7-5-13)22(23)24/h4-8H,9H2,1-3H3