CHEBI:105148 - 2,6-dichlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,6-dichlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester
ChEBI ID CHEBI:105148
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H12Cl2N2O3
Net Charge 0
Average Mass 399.228
Monoisotopic Mass 398.02250
InChI InChI=1S/C20H12Cl2N2O3/c1-26-14-5-2-4-12(10-14)17-9-8-13(11-23)19(24-17)27-20(25)18-15(21)6-3-7-16(18)22/h2-10H,1H3
InChIKey CJNXEPPAURGNDB-UHFFFAOYSA-N
SMILES COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)OC(=O)C3=C(C=CC=C3Cl)Cl
ChEBI Ontology
Outgoing 2,6-dichlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester (CHEBI:105148) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-16511 LINCS
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