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(Q82568684)
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English
Methyl 4-(cyclopropylamino)-3-nitrobenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
236.079706864
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₂N₂O₄
0 references
canonical SMILES
COC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C11H12N2O4/c1-17-11(14)7-2-5-9(12-8-3-4-8)10(6-7)13(15)16/h2,5-6,8,12H,3-4H2,1H3
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InChIKey
YSAHAGVMRONZEL-UHFFFAOYSA-N
0 references
CAS Registry Number
848819-82-9
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PubChem CID
41879420
1 reference
matched by identifier from
InChIKey
InChIKey
YSAHAGVMRONZEL-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL23970849
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YSAHAGVMRONZEL-UHFFFAOYSA-N
UniChem compound ID
55490870
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20654660
1 reference
matched by identifier from
InChIKey
InChIKey
YSAHAGVMRONZEL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20605410
0 references
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