5-(3,3-dinitrobutyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-(3,3-dinitrobutyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole Openeye Name: 5-(3,3-dinitrobutyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole CAS Name: 5-(3,3-dinitrobutyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-(3,3-dinitrobutyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-(3,3-dinitrobutyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole Formula: C13H14N4O6 MolecularWeight: 322.27346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=NC(=NO1)C2=CC=CC=C2OC)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=NC(=NO1)C2=CC=CC=C2OC)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O6/c1-13(16(18)19,17(20)21)8-7-11-14-12(15-23-11)9-5-3-4-6-10(9)22-2/h3-6H,7-8H2,1-2H3