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(Q82715642)
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English
4-{(E)-[3-(4-Carboxyanilino)prop-2-en-1-ylidene]amino}benzoic acid
group of stereoisomers with the chemical formula C₁₇H₁₄N₂O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
310.095356928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₄N₂O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)c1ccc(/N=C/C=CNc2ccc(C(=O)O)cc2)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
O=C(O)c1ccc(/N=C/C=CNc2ccc(C(=O)O)cc2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H14N2O4/c20-16(21)12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(5-9-15)17(22)23/h1-11,18H,(H,20,21)(H,22,23)/b10-1?,19-11+
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InChIKey
AYNKCCXQNCPPTG-KBZKFPFGSA-N
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CAS Registry Number
101444-89-7
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DSSTox substance ID
DTXSID20761005
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DSSTOX compound identifier
DTXCID80711748
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