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(Q82714330)
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English
(6E)-6-{[2-(5-Bromo-2-hydroxyanilino)ethenyl]imino}cyclohexa-2,4-dien-1-one
group of stereoisomers with the chemical formula C₁₄H₁₁BrN₂O₂
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
318.000389692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₁BrN₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1C=CC=C/C1=N\C=CNc1cc(Br)ccc1O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
O=C1C=CC=C/C1=N\C=CNc1cc(Br)ccc1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H11BrN2O2/c15-10-5-6-14(19)12(9-10)17-8-7-16-11-3-1-2-4-13(11)18/h1-9,17,19H/b8-7?,16-11+
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InChIKey
BIULEXFLSDMODB-MXFLNRFVSA-N
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CAS Registry Number
96386-01-5
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DSSTox substance ID
DTXSID60760012
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DSSTOX compound identifier
DTXCID20710755
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