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ZINC03956900
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
276.06259399991
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₀N₃O₅⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=NN=C([O-])/C=C/C(=O)O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC(=NN=C([O-])/C=C/C(=O)O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H11N3O5/c1-8(13-14-11(16)6-7-12(17)18)9-2-4-10(5-3-9)15(19)20/h2-7H,1H3,(H,14,16)(H,17,18)/p-1/b7-6+,13-8?
0 references
InChIKey
OPKVMGMYQMDJET-QZEOAWFLSA-M
0 references
CAS Registry Number
253133-03-8
0 references
PubChem CID
7067553
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42808088
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90427722
0 references
DSSTOX compound identifier
DTXCID20378556
0 references
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