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(Q106010220)
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English
8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-(phenyldiazenyl)dipyrrin-1(10H)-one
chemical compound
3-{5-[(Z)-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2-(phenyldiazenyl)-1H-pyrrol-3-yl}propanoic acid
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
390.16919056399996
dalton
1 reference
based on heuristic
inferred from SMILES
tautomer of
3-[(2E)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-(phenylhydrazono)-2H-pyrrol-3-yl]propanoic acid
1 reference
stated in
ChEBI release 2021-03-01
chemical formula
C₂₂H₂₂N₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC1=C(C)C(=O)N/C1=C\c1[nH]c(N=Nc2ccccc2)c(CCC(=O)O)c1C
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C=CC1=C(C)C(=O)N/C1=C\c1[nH]c(N=Nc2ccccc2)c(CCC(=O)O)c1C
0 references
Identifiers
InChI
InChI=1S/C22H22N4O3/c1-4-16-14(3)22(29)24-19(16)12-18-13(2)17(10-11-20(27)28)21(23-18)26-25-15-8-6-5-7-9-15/h4-9,12,23H,1,10-11H2,2-3H3,(H,24,29)(H,27,28)/b19-12-,26-25?
1 reference
stated in
ChEBI release 2021-03-01
InChIKey
VBCOZUHFCDYULE-JOCACMRDSA-N
1 reference
stated in
ChEBI release 2021-03-01
PubChem CID
135857565
1 reference
stated in
ChEBI release 2021-03-01
ChEBI ID
142128
mapping relation type
exact match
1 reference
stated in
ChEBI release 2021-03-01
UniChem compound ID
167026049
1 reference
stated in
UniChem
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