(4E)-4-[3-(2-bromanyl-4,6-dimethyl-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-4,6-dimethyl-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-4,6-dimethyl-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-4,6-dimethyl-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-4,6-dimethyl-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-4,6-dimethyl-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: C15H11BrN4O6 MolecularWeight: 423.17504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1C2=NC(=C3C=C(C(=O)C(=C3)O)[N+](=O)[O-])ON2)Br)[O-])C

Isomeric SMILES

CC1=CC(=[N+](C(=C1C2=N/C(=C\3/C=C(C(=O)C(=C3)O)[N+](=O)[O-])/ON2)Br)[O-])C

InChI

InChI=1S/C15H11BrN4O6/c1-6-3-7(2)19(23)13(16)11(6)14-17-15(26-18-14)8-4-9(20(24)25)12(22)10(21)5-8/h3-5,21H,1-2H3,(H,17,18)/b15-8+