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English
(2S)-4-[Carboxy(2-nitrophenyl)methoxy]-2-(methylamino)-4-oxobutanoate
group of stereoisomers with the chemical formula C₁₃H₁₃N₂O₈⁻
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
325.06773895591
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₃N₂O₈⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CNC(CC(=O)OC(C(=O)O)c1ccccc1[N+](=O)[O-])C(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN[C@@H](CC(=O)OC(C(=O)O)c1ccccc1[N+](=O)[O-])C(=O)[O-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H14N2O8/c1-14-8(12(17)18)6-10(16)23-11(13(19)20)7-4-2-3-5-9(7)15(21)22/h2-5,8,11,14H,6H2,1H3,(H,17,18)(H,19,20)/p-1/t8-,11?/m0/s1
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InChIKey
HNRHLVPLECMDMI-YMNIQAILSA-M
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CAS Registry Number
191475-86-2
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PubChem CID
71347676
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57934151
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60773602
0 references
DSSTOX compound identifier
DTXCID50724345
0 references
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