CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O
Name: (5-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester
SMILES: CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

Molecular Processing

Molecular formula
C12H10N2O6
Molecular weight
278.22
Exact mass
278.0539
XLogP
0.75
TPSA
106.82
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
65.1

Supplementary Information

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