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English
Dimethyl nitroterephthalate
chemical compound
2-Nitroterephthalic acid dimethyl ester
2-Nitro-1,4-benzenedicarboxylic acid dimethyl ester
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₁₀H₉NO₆
0 references
canonical SMILES
COC(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3
0 references
InChIKey
PAYWCKGMOYQZAW-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
39020-35-4
0 references
PubChem CID
21364
1 reference
matched by identifier from
InChIKey
InChIKey
PAYWCKGMOYQZAW-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL559830
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PAYWCKGMOYQZAW-UHFFFAOYSA-N
DSSTox substance ID
DTXSID5022223
1 reference
matched by identifier from
InChIKey
InChIKey
PAYWCKGMOYQZAW-UHFFFAOYSA-N
UNII
59QLU09DZ4
1 reference
matched by identifier from
InChIKey
InChIKey
PAYWCKGMOYQZAW-UHFFFAOYSA-N
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