1-[2-oxidanidyl-4-(phenylcarbonyl)-1,2,5-oxadiazol-2-ium-3-yl]hexan-1-one

Systemtic Name: 1-[2-oxidanidyl-4-(phenylcarbonyl)-1,2,5-oxadiazol-2-ium-3-yl]hexan-1-one Openeye Name: 1-(4-benzoyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)hexan-1-one CAS Name: 1-(4-benzoyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-1-hexanone IUPAC Name: 1-(4-benzoyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)hexan-1-one Traditional Name: 1-(4-benzoyl-2-oxido-furazan-2-ium-3-yl)hexan-1-one Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=[N+](ON=C1C(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCC(=O)C1=[N+](ON=C1C(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C15H16N2O4/c1-2-3-5-10-12(18)14-13(16-21-17(14)20)15(19)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3