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(Q82238610)
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English
Methyl 4-[2-(4-{(E)-[4-(methoxycarbonyl)phenyl]diazenyl}-5-[2-(2,2,2-trifluoroacetamido)ethyl]-2H-imidazol-2-ylidene)hydrazinyl]benzoate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
531.1478014
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₀F₃N₇O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)c1ccc(/N=N/C2=NC(=NNc3ccc(C(=O)OC)cc3)N=C2CCNC(=O)C(F)(F)F)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
COC(=O)c1ccc(/N=N/C2=NC(=NNc3ccc(C(=O)OC)cc3)N=C2CCNC(=O)C(F)(F)F)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H20F3N7O5/c1-37-19(34)13-3-7-15(8-4-13)30-32-18-17(11-12-27-21(36)23(24,25)26)28-22(29-18)33-31-16-9-5-14(6-10-16)20(35)38-2/h3-10,31H,11-12H2,1-2H3,(H,27,36)/b32-30+,33-22?
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InChIKey
YMXNXFWWRDTEEL-ATICOODISA-N
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CAS Registry Number
50540-56-2
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DSSTox substance ID
DTXSID00425693
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DSSTOX compound identifier
DTXCID70376527
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NSC number
226175
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