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(Q82691761)
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English
(2Z)-2-Cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
319.11682064400003
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₁₇N₃O₅
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canonical SMILES
CCN(CC)C(=O)/C(C#N)=C\c1cc(OC)c(O)c([N+](=O)[O-])c1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCN(CC)C(=O)/C(=C\C1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])/C#N
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Identifiers
InChI
InChI=1S/C15H17N3O5/c1-4-17(5-2)15(20)11(9-16)6-10-7-12(18(21)22)14(19)13(8-10)23-3/h6-8,19H,4-5H2,1-3H3/b11-6-
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InChIKey
MAZRYCCTAIVEQP-WDZFZDKYSA-N
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CAS Registry Number
146698-91-1
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PubChem CID
71207674
1 reference
matched by identifier from
InChIKey
InChIKey
MAZRYCCTAIVEQP-WDZFZDKYSA-N
UniChem compound ID
18806812
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20744196
1 reference
matched by identifier from
InChIKey
InChIKey
MAZRYCCTAIVEQP-WDZFZDKYSA-N
DSSTOX compound identifier
DTXCID20694940
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