AC1LR9CT

(4Z)-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

Also Known As: CBMicro_049862|Narcotine, sulfate (1:1), tetrahydrate|BIM-0049849.P001|(4Z)-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|4-{3-bromo-5-methoxy-4-[(4-methyl-2-oxido-1,2,5-oxadiazol-3-yl)methoxy]benzylidene}-2-phenyl-1,3-oxazol-5(4H)-one|(4Z)-4-({3-Bromo-5-methoxy-4-[(4-methyl-2-oxo-1,2lambda~5~,5-oxadiazol-3-yl)methoxy]phenyl}methylidene)-2-phenyl-1,3-oxazol-5(4H)-one|1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-, compd. with 2,4,6-trinitrophenol (1:1)

Molecular Formula	C21H16BrN3O6
Molecular Weight	485.02225 g/mol
LogP	3.31102
Topological Polar Surface Area	110.09 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	485.02225
Monoisotopic Mass	485.02225
Heavy Atoms	31
Complexity	1183.8242

Chemical Identifiers

CAS Number	6035-36-5
SMILES	CC1=NO[N+](=C1COC2=C(C=C(C=C2Br)/C=C\3/C(=O)OC(=N3)C4=CC=CC=C4)OC)[O-]