AC1NRUK4

4-(6a-methyl-4,6-dioxo-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-3-(4-ethoxyphenyl)oxadiazol-3-ium-5-olate

Also Known As: J1.859.838H|3-(4-Ethoxyphenyl)-4-(6a-methyl-4,6-dioxo-5-phenyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-1,2,3-oxadiazol-3-ium-5-olate|3-(4-Ethoxyphenyl)-4-(4,6-dioxo-5-phenyl-6a-methyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-yl)-5-oxylato-1,2,3-oxadiazole-3-ium|4-(6a-methyl-4,6-dioxo-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazol-3-yl)-3-(4-ethoxyphenyl)oxadiazol-3-ium-5-olate|4-{6a-methyl-4,6-dioxo-5-phenyl-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazol-3-yl}-3-(4-ethoxyphenyl)-1,2,3lambda5-oxadiazol-3-ylium-5-olate

Molecular Formula	C22H18N4O6
Molecular Weight	434.12262 g/mol
LogP	1.1062
Topological Polar Surface Area	121.17 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	434.12262
Monoisotopic Mass	434.12262
Heavy Atoms	32
Complexity	1237.0668

Chemical Identifiers

CAS Number	7231-95-0
SMILES	CCOC1=CC=C(C=C1)[N+]2=NOC(=C2C3=NOC4(C3C(=O)N(C4=O)C5=CC=CC=C5)C)[O-]