Name: ethyl 3-nitrobenzylidenebenzoylacetoacetate
SMILES:
CCOC(=O)CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1Molecular Processing
Molecular formula
C20H17NO6
Molecular weight
367.36
Exact mass
367.1056
XLogP
3.38
TPSA
103.58
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
98.1
Supplementary Information
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