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English
Ethyl (3E)-2-[2-(2-nitrophenyl)hydrazinylidene]-3-(phenylimino)butanoate
group of stereoisomers with the chemical formula C₁₈H₁₈N₄O₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
354.132805056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₈N₄O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOC(=O)C(=NNc1ccccc1[N+](=O)[O-])/C(C)=N/c1ccccc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCOC(=O)C(=NNc1ccccc1[N+](=O)[O-])/C(C)=N/c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H18N4O4/c1-3-26-18(23)17(13(2)19-14-9-5-4-6-10-14)21-20-15-11-7-8-12-16(15)22(24)25/h4-12,20H,3H2,1-2H3/b19-13+,21-17?
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InChIKey
CEHFXPOHUSLCQM-FYMFUUPZSA-N
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CAS Registry Number
62008-99-5
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DSSTox substance ID
DTXSID70812556
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DSSTOX compound identifier
DTXCID90763298
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