4-bromanyl-3-[4-(4-nitrophenyl)sulfonylphenyl]-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 4-bromanyl-3-[4-(4-nitrophenyl)sulfonylphenyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-bromo-3-[4-(4-nitrophenyl)sulfonylphenyl]-2H-oxadiazol-3-ium-5-one CAS Name: 4-bromo-3-[4-(4-nitrophenyl)sulfonylphenyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-bromo-3-[4-(4-nitrophenyl)sulfonylphenyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 4-bromo-3-(4-nosylphenyl)-2H-oxadiazol-3-ium-5-one Formula: C14H9BrN3O6S+ MolecularWeight: 427.20676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+]2=C(C(=O)ON2)Br)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+]2=C(C(=O)ON2)Br)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H8BrN3O6S/c15-13-14(19)24-16-17(13)9-1-5-11(6-2-9)25(22,23)12-7-3-10(4-8-12)18(20)21/h1-8H/p+1