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

Systemtic Name: 5-[(3,5-dimethylphenoxy)methyl]-3-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole Openeye Name: 5-[(3,5-dimethylphenoxy)methyl]-3-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole CAS Name: 5-[(3,5-dimethylphenoxy)methyl]-3-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole IUPAC Name: 5-[(3,5-dimethylphenoxy)methyl]-3-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole Traditional Name: 5-[(3,5-dimethylphenoxy)methyl]-3-(4-nitrobenzyl)-1,2,4-oxadiazole Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NC(=NO2)CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NC(=NO2)CC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4/c1-12-7-13(2)9-16(8-12)24-11-18-19-17(20-25-18)10-14-3-5-15(6-4-14)21(22)23/h3-9H,10-11H2,1-2H3