diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate

diethyl 2-[2-nitro-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanedioate

Also Known As: MS-2583|diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}malonate|diethyl 2-[2-nitro-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanedioate|1,3-diethyl 2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}propanedioate|SR-01000310032-1|1,3-diethyl2-{2-nitro-1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}propanedioate

Molecular Formula	C17H20N4O6
Molecular Weight	376.13828 g/mol
LogP	1.37
Topological Polar Surface Area	126.45 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	376.13828
Monoisotopic Mass	376.13828
Heavy Atoms	27
Complexity	757.23114

Chemical Identifiers

CAS Number	866157-75-7
SMILES	CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)N2C=NC=N2)C(=O)OCC