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(Q82144132)
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English
2-Chloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
379.8197
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₄ClN₃O₄S
0 references
canonical SMILES
CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C
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Identifiers
InChI
InChI=1S/C16H14ClN3O4S/c1-16(2)6-11-13(12(21)7-16)25-15(18-11)19-14(22)9-4-3-8(20(23)24)5-10(9)17/h3-5H,6-7H2,1-2H3,(H,18,19,22)
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InChIKey
GGCQHNACLBKHEE-UHFFFAOYSA-N
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CAS Registry Number
606922-59-2
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PubChem CID
1304085
1 reference
matched by identifier from
InChIKey
InChIKey
GGCQHNACLBKHEE-UHFFFAOYSA-N
UniChem compound ID
16465298
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20361685
1 reference
matched by identifier from
InChIKey
InChIKey
GGCQHNACLBKHEE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80312734
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