(1Z)-2-bromanyl-N-(3-butyl-1,2,3-oxadiazol-3-ium-5-yl)benzenecarboximidate

Systemtic Name: (1Z)-2-bromanyl-N-(3-butyl-1,2,3-oxadiazol-3-ium-5-yl)benzenecarboximidate Openeye Name: (1Z)-2-bromo-N-(3-butyloxadiazol-3-ium-5-yl)benzenecarboximidate CAS Name: (1Z)-2-bromo-N-(3-butyl-5-oxadiazol-3-iumyl)benzenecarboximidate IUPAC Name: (1Z)-2-bromo-N-(3-butyloxadiazol-3-ium-5-yl)benzenecarboximidate Traditional Name: (1Z)-2-bromo-N-(3-butyloxadiazol-3-ium-5-yl)benzenecarboximidate Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=NOC(=C1)N=C(C2=CC=CC=C2Br)[O-]

Isomeric SMILES

CCCC[N+]1=NOC(=C1)/N=C(/C2=CC=CC=C2Br)\[O-]

InChI

InChI=1S/C13H14BrN3O2/c1-2-3-8-17-9-12(19-16-17)15-13(18)10-6-4-5-7-11(10)14/h4-7,9H,2-3,8H2,1H3