su5402 (Q4854)

From Chemical Compounds of Interest
Revision as of 18:58, 1 August 2024 by Egonw (talk | contribs) (‎Created claim: part of (P21): AOP-Wiki Prototypical Stressors (Q4761), #quickstatements; #temporary_batch_1722538560686)
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chemical compound
Language Label Description Also known as
English
su5402
chemical compound

    Statements

    SMILES
    CC1=CNC(=C1CCC(=O)O)/C=C\2/C3=CC=CC=C3NC2=O
    0 references
    chemical formula
    C₁₇H₁₆N₂O₃
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
    1 reference
    based on heuristic
    inferred from SMILES
    AOP-Wiki Stressor ID
    653
    0 references
     
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