(4E)-4-[3-(2-bromanyl-6-methyl-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-(2-bromanyl-6-methyl-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-(2-bromo-6-methyl-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-(2-bromo-6-methyl-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-(2-bromo-6-methyl-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-(2-bromo-6-methyl-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: C14H9BrN4O6 MolecularWeight: 409.14846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(C=C1)C2=NC(=C3C=C(C(=O)C(=C3)O)[N+](=O)[O-])ON2)Br)[O-]

Isomeric SMILES

CC1=[N+](C(=C(C=C1)C2=N/C(=C\3/C=C(C(=O)C(=C3)O)[N+](=O)[O-])/ON2)Br)[O-]

InChI

InChI=1S/C14H9BrN4O6/c1-6-2-3-8(12(15)18(6)22)13-16-14(25-17-13)7-4-9(19(23)24)11(21)10(20)5-7/h2-5,20H,1H3,(H,16,17)/b14-7+