CHEBI:112451 - 2-[2-methoxy-4-[2-(8-nitro-2-quinolinyl)ethenyl]phenoxy]acetic acid

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ChEBI Name 2-[2-methoxy-4-[2-(8-nitro-2-quinolinyl)ethenyl]phenoxy]acetic acid
ChEBI ID CHEBI:112451
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H16N2O6
Net Charge 0
Average Mass 380.352
Monoisotopic Mass 380.10084
InChI InChI=1S/C20H16N2O6/c1-27-18-11-13(6-10-17(18)28-12-19(23)24)5-8-15-9-7-14-3-2-4-16(22(25)26)20(14)21-15/h2-11H,12H2,1H3,(H,23,24)
InChIKey PTOFYNLLKNLRKG-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)C=CC2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2)OCC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[2-methoxy-4-[2-(8-nitro-2-quinolinyl)ethenyl]phenoxy]acetic acid (CHEBI:112451) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-23863 LINCS
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