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(Q82229514)
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English
F1186-0036
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
283.084457896
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₁₃NO₄
0 references
canonical SMILES
COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C16H13NO4/c1-21-15-8-6-13(7-9-15)16(18)10-5-12-3-2-4-14(11-12)17(19)20/h2-11H,1H3/b10-5+
0 references
InChIKey
NKTHYLRGJXZFQJ-BJMVGYQFSA-N
0 references
CAS Registry Number
68063-55-8
0 references
PubChem CID
5378188
1 reference
matched by identifier from
InChIKey
InChIKey
NKTHYLRGJXZFQJ-BJMVGYQFSA-N
UniChem compound ID
5073317
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10418819
1 reference
matched by identifier from
InChIKey
InChIKey
NKTHYLRGJXZFQJ-BJMVGYQFSA-N
DSSTOX compound identifier
DTXCID20369666
0 references
NSC number
242265
0 references
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