(E)-oxidanidyl-(3-phenethyl-4-propan-2-yl-1,2,3-oxadiazol-3-ium-5-yl)diazene

Systemtic Name: (E)-oxidanidyl-(3-phenethyl-4-propan-2-yl-1,2,3-oxadiazol-3-ium-5-yl)diazene Openeye Name: (E)-(4-isopropyl-3-phenethyl-oxadiazol-3-ium-5-yl)-oxido-diazene CAS Name: (E)-oxido-(3-phenethyl-4-propan-2-yl-5-oxadiazol-3-iumyl)diazene IUPAC Name: (E)-oxido-(3-phenethyl-4-propan-2-yloxadiazol-3-ium-5-yl)diazene Traditional Name: (E)-(4-isopropyl-3-phenethyl-oxadiazol-3-ium-5-yl)-oxido-diazene Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(ON=[N+]1CCC2=CC=CC=C2)N=N[O-]

Isomeric SMILES

CC(C)C1=C(ON=[N+]1CCC2=CC=CC=C2)/N=N/[O-]

InChI

InChI=1S/C13H16N4O2/c1-10(2)12-13(14-15-18)19-16-17(12)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3