COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC(=O)c2ccc(NC(C)=O)cc2)C1c1cccc([N+](=O)[O-])c1
SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC(=O)c2ccc(NC(C)=O)cc2)C1c1cccc([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C27H27N3O9
Molecular weight
537.53
Exact mass
537.1747
XLogP
3.36
TPSA
163.17
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
138.38

Supplementary Information

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