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(Q82627389)
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English
tert-Butyl {2-[(2-chloro-3-nitropyridin-4-yl)amino]ethyl}carbamate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
316.09383270399996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₇ClN₄O₄
0 references
canonical SMILES
CC(C)(C)OC(=O)NCCNC1=C(C(=NC=C1)Cl)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C12H17ClN4O4/c1-12(2,3)21-11(18)16-7-6-14-8-4-5-15-10(13)9(8)17(19)20/h4-5H,6-7H2,1-3H3,(H,14,15)(H,16,18)
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InChIKey
LSILNNVOHKTIEP-UHFFFAOYSA-N
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CAS Registry Number
1061318-65-7
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PubChem CID
53419019
1 reference
matched by identifier from
InChIKey
InChIKey
LSILNNVOHKTIEP-UHFFFAOYSA-N
UniChem compound ID
13502762
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40697478
1 reference
matched by identifier from
InChIKey
InChIKey
LSILNNVOHKTIEP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80648227
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