3-butyl-5-(3-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 3-butyl-5-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 3-butyl-5-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 3-butyl-5-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 3-butyl-5-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 3-butyl-5-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NOC(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-2-3-7-11-13-12(18-14-11)9-5-4-6-10(8-9)15(16)17/h4-6,8H,2-3,7H2,1H3