CCOC(=O)C(Cc1cccc([N+](=O)[O-])c1)(NC(C)=O)C(=O)OCC
Nom: diethyl 2-(acetylamino)-2-(3-nitrobenzyl)malonate
SMILES: CCOC(=O)C(Cc1cccc([N+](=O)[O-])c1)(NC(C)=O)C(=O)OCC

Molecular Processing

Molecular formula
C16H20N2O7
Molecular weight
352.34
Exact mass
352.1271
XLogP
1.14
TPSA
124.84
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
25
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
86.61

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→