(4E)-4-[3-(4-bromanyl-1-oxidanidyl-pyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[3-(4-bromanyl-1-oxidanidyl-pyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[3-(4-bromo-1-oxido-pyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[3-(4-bromo-1-oxido-3-pyridin-1-iumyl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[3-(4-bromo-1-oxidopyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[3-(4-bromo-1-oxido-pyridin-1-ium-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C13H7BrN4O6 MolecularWeight: 395.12188

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC(=C1Br)C2=NC(=C3C=C(C(=O)C(=C3)O)[N+](=O)[O-])ON2)[O-]

Isomeric SMILES

C1=C[N+](=CC(=C1Br)C2=N/C(=C\3/C=C(C(=O)C(=C3)O)[N+](=O)[O-])/ON2)[O-]

InChI

InChI=1S/C13H7BrN4O6/c14-8-1-2-17(21)5-7(8)12-15-13(24-16-12)6-3-9(18(22)23)11(20)10(19)4-6/h1-5,19H,(H,15,16)/b13-6+