4-[[3-bromanyl-5-methoxy-4-[(4-methyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

Systemtic Name: 4-[[3-bromanyl-5-methoxy-4-[(4-methyl-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one Openeye Name: 4-[[3-bromo-5-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylene]-2-phenyl-oxazol-5-one CAS Name: 4-[[3-bromo-5-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylidene]-2-phenyl-5-oxazolone IUPAC Name: 4-[[3-bromo-5-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one Traditional Name: 4-[3-bromo-5-methoxy-4-[(4-methyl-2-oxido-furazan-2-ium-3-yl)methoxy]benzylidene]-2-phenyl-2-oxazolin-5-one Formula: C21H16BrN3O6 MolecularWeight: 486.27224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NO[N+](=C1COC2=C(C=C(C=C2Br)C=C3C(=O)OC(=N3)C4=CC=CC=C4)OC)[O-]

Isomeric SMILES

CC1=NO[N+](=C1COC2=C(C=C(C=C2Br)C=C3C(=O)OC(=N3)C4=CC=CC=C4)OC)[O-]

InChI

InChI=1S/C21H16BrN3O6/c1-12-17(25(27)31-24-12)11-29-19-15(22)8-13(10-18(19)28-2)9-16-21(26)30-20(23-16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3