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(Q82225520)
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English
AC1NSBST
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
346.03168982
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₁₅BrN₂O₂
0 references
canonical SMILES
COc1ccc(/C(C)=N\NC(=O)c2cccc(Br)c2)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C/C(=N/NC(=O)C1=CC(=CC=C1)Br)/C2=CC=C(C=C2)OC
0 references
Identifiers
InChI
InChI=1S/C16H15BrN2O2/c1-11(12-6-8-15(21-2)9-7-12)18-19-16(20)13-4-3-5-14(17)10-13/h3-10H,1-2H3,(H,19,20)/b18-11-
0 references
InChIKey
GSAMAOKZXCXZEN-WQRHYEAKSA-N
0 references
CAS Registry Number
5282-08-6
0 references
PubChem CID
5331737
1 reference
matched by identifier from
InChIKey
InChIKey
GSAMAOKZXCXZEN-WQRHYEAKSA-N
UniChem compound ID
6638053
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20416280
1 reference
matched by identifier from
InChIKey
InChIKey
GSAMAOKZXCXZEN-WQRHYEAKSA-N
DSSTOX compound identifier
DTXCID40367129
0 references
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