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(Q82071010)
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English
[1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
243.085520516
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₃N₃O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COCC(Cn1ccnc1[N+](=O)[O-])OC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H13N3O5/c1-7(13)17-8(6-16-2)5-11-4-3-10-9(11)12(14)15/h3-4,8H,5-6H2,1-2H3
0 references
InChIKey
VWEDKHPENRENKL-UHFFFAOYSA-N
0 references
CAS Registry Number
22896-03-3
reason for deprecated rank
cannot be confirmed by other sources
0 references
PubChem CID
328658
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66148036
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70316867
0 references
DTXSID30879564
0 references
DSSTOX compound identifier
DTXCID60267990
0 references
DTXCID00959261
0 references
NSC number
307997
0 references
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