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(Q82234135)
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NSC271241
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
341.137556088
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₈H₁₉N₃O₄
0 references
canonical SMILES
C=Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(C(=O)OCCCC)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCCCOC(=O)C1=CC=C(C=C1)/C=C/C2=NC=C(N2C=C)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C18H19N3O4/c1-3-5-12-25-18(22)15-9-6-14(7-10-15)8-11-16-19-13-17(21(23)24)20(16)4-2/h4,6-11,13H,2-3,5,12H2,1H3/b11-8+
0 references
InChIKey
IKDAKWLUAPUVGI-DHZHZOJOSA-N
0 references
CAS Registry Number
41590-71-0
0 references
PubChem CID
6254255
1 reference
matched by identifier from
InChIKey
InChIKey
IKDAKWLUAPUVGI-DHZHZOJOSA-N
UniChem compound ID
59287609
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20422265
1 reference
matched by identifier from
InChIKey
InChIKey
IKDAKWLUAPUVGI-DHZHZOJOSA-N
DSSTOX compound identifier
DTXCID80373108
0 references
NSC number
271241
0 references
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