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(Q82027300)
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English
MLS002693480
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
391.3759
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₁N₃O₇
0 references
canonical SMILES
CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C
0 references
Identifiers
InChI
InChI=1S/C18H21N3O7/c1-4-27-16(23)18(20-11(3)22,17(24)28-5-2)9-12-10-19-15-7-6-13(21(25)26)8-14(12)15/h6-8,10,19H,4-5,9H2,1-3H3,(H,20,22)
0 references
InChIKey
IINRGTWFETXCNC-UHFFFAOYSA-N
0 references
CAS Registry Number
6958-33-4
0 references
PubChem CID
248131
0 references
UniChem compound ID
1164631
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60289819
0 references
DSSTOX compound identifier
DTXCID60240965
0 references
NSC number
64692
0 references
78038
0 references
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