Chemical Compounds of Interest

(Q4835)

Statements

SMILES (without stereochemistry)
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
0 references
chemical formula
C₁₉H₁₆ClNO₄
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
1 reference
based on heuristic
inferred from SMILES
AOP-Wiki Stressor ID
27
0 references
 
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