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English
Methyl 3-[(E)-(3-nitropyridin-2-yl)diazenyl]but-2-enoate
group of stereoisomers with the chemical formula C₁₀H₁₀N₄O₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
250.0702048
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₀N₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C=C(C)/N=N/c1ncccc1[N+](=O)[O-]
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
COC(=O)C=C(C)/N=N/c1ncccc1[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C10H10N4O4/c1-7(6-9(15)18-2)12-13-10-8(14(16)17)4-3-5-11-10/h3-6H,1-2H3/b7-6?,13-12+
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InChIKey
IKGCTJPSPMIZIZ-GXAIGGSPSA-N
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CAS Registry Number
104310-75-0
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DSSTox substance ID
DTXSID20761484
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DSSTOX compound identifier
DTXCID50712227
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