3-[4-[(Z)-C-(4-butylphenyl)-N-oxidanidyl-carbonimidoyl]phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-[4-[(Z)-C-(4-butylphenyl)-N-oxidanidyl-carbonimidoyl]phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-[4-[(Z)-C-(4-butylphenyl)-N-oxido-carbonimidoyl]phenyl]-2H-oxadiazol-3-ium-5-one CAS Name: 3-[4-[(Z)-(4-butylphenyl)-oxidoiminomethyl]phenyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[4-[(Z)-C-(4-butylphenyl)-N-oxidocarbonimidoyl]phenyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-[4-[(Z)-C-(4-butylphenyl)-N-oxido-carbonimidoyl]phenyl]-2H-oxadiazol-3-ium-5-one Formula: C19H19N3O3 MolecularWeight: 337.37246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=N[O-])C2=CC=C(C=C2)[N+]3=CC(=O)ON3

Isomeric SMILES

CCCCC1=CC=C(C=C1)/C(=N/[O-])/C2=CC=C(C=C2)[N+]3=CC(=O)ON3

InChI

InChI=1S/C19H19N3O3/c1-2-3-4-14-5-7-15(8-6-14)19(20-24)16-9-11-17(12-10-16)22-13-18(23)25-21-22/h5-13H,2-4H2,1H3,(H-,21,23,24)