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(Q82043185)
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English
Methyl 2-[(1E)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
280.096025624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₂N₄O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)c1ccccc1N=NNc1ccc(C#N)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H12N4O2/c1-21-15(20)13-4-2-3-5-14(13)18-19-17-12-8-6-11(10-16)7-9-12/h2-9H,1H3,(H,17,18)
0 references
InChIKey
SGXCZZWMFQPRJA-UHFFFAOYSA-N
0 references
CAS Registry Number
35107-35-8
0 references
PubChem CID
282330
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
SGXCZZWMFQPRJA-UHFFFAOYSA-N
UniChem compound ID
4038463
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10300265
1 reference
matched by identifier from
InChIKey
InChIKey
SGXCZZWMFQPRJA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10251400
0 references
NSC number
135748
0 references
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