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(Q82933990)
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English
1-Benzyl 2-(4-nitrophenyl) pyrrolidine-1,2-dicarboxylate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
370.116486296
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₈N₂O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)C1CCCN1C(=O)OCc1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H18N2O6/c22-18(27-16-10-8-15(9-11-16)21(24)25)17-7-4-12-20(17)19(23)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2
0 references
InChIKey
GXUFIJVKXYWCAO-UHFFFAOYSA-N
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CAS Registry Number
3304-59-4
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DSSTox substance ID
DTXSID50954660
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DSSTOX compound identifier
DTXCID201382673
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