Chemical Compounds of Interest

(Q4849)

Statements

SMILES (without stereochemistry)
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
0 references
chemical formula
C₁₇H₁₈N₂O₆
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
1 reference
based on heuristic
inferred from SMILES
AOP-Wiki Stressor ID
382
0 references
 
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