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(Q82802143)
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English
3-(2-Nitroprop-1-en-1-yl)phenyl butylcarbamate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
278.126657056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈N₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCNC(=O)Oc1cccc(C=C(C)[N+](=O)[O-])c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H18N2O4/c1-3-4-8-15-14(17)20-13-7-5-6-12(10-13)9-11(2)16(18)19/h5-7,9-10H,3-4,8H2,1-2H3,(H,15,17)
0 references
InChIKey
YLSURLCSNAZMMB-UHFFFAOYSA-N
0 references
CAS Registry Number
61126-54-3
0 references
PubChem CID
71399169
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YLSURLCSNAZMMB-UHFFFAOYSA-N
UniChem compound ID
54370177
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00820548
1 reference
matched by identifier from
InChIKey
InChIKey
YLSURLCSNAZMMB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70771290
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