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(Q76009711)
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English
(2S)-2-(2,4-dinitroanilino)-3-methylbutanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
283.080435136
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₃N₃O₆
0 references
canonical SMILES
CC(C)C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)[C@@H](C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)/t10-/m0/s1
0 references
InChIKey
AYLCDVYHZOZQKM-JTQLQIEISA-N
0 references
CAS Registry Number
1694-97-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
96810
1 reference
matched by identifier from
InChIKey
InChIKey
AYLCDVYHZOZQKM-JTQLQIEISA-N
ChEBI ID
191139
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)/t10-/m0/s1
UniChem compound ID
23638430
1 reference
stated in
UniChem
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