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English
4-{4-[(E)-Benzylideneamino]anilino}pent-3-en-2-one
group of stereoisomers with the chemical formula C₁₈H₁₈N₂O
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
278.14191319599996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₁₈N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C=C(C)Nc1ccc(/N=C/c2ccccc2)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC(=O)C=C(C)Nc1ccc(/N=C/c2ccccc2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H18N2O/c1-14(12-15(2)21)20-18-10-8-17(9-11-18)19-13-16-6-4-3-5-7-16/h3-13,20H,1-2H3/b14-12?,19-13+
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InChIKey
QQEFUOAWFITDJM-UBNLCTKJSA-N
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CAS Registry Number
918401-87-3
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DSSTox substance ID
DTXSID10846138
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DSSTOX compound identifier
DTXCID50796880
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