CHEBI:121491 - acetic acid [4-[2-(8-acetyloxy-2-quinolinyl)ethenyl]-2-ethoxy-3-nitrophenyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acetic acid [4-[2-(8-acetyloxy-2-quinolinyl)ethenyl]-2-ethoxy-3-nitrophenyl] ester
ChEBI ID CHEBI:121491
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H20N2O7
Net Charge 0
Average Mass 436.415
Monoisotopic Mass 436.12705
InChI InChI=1S/C23H20N2O7/c1-4-30-23-20(32-15(3)27)13-10-17(22(23)25(28)29)9-12-18-11-8-16-6-5-7-19(21(16)24-18)31-14(2)26/h5-13H,4H2,1-3H3
InChIKey KQMWGMYCERRTFP-UHFFFAOYSA-N
SMILES CCOC1=C(C=CC(=C1[N+](=O)[O-])C=CC2=NC3=C(C=CC=C3OC(=O)C)C=C2)OC(=O)C
ChEBI Ontology
Outgoing acetic acid [4-[2-(8-acetyloxy-2-quinolinyl)ethenyl]-2-ethoxy-3-nitrophenyl] ester (CHEBI:121491) is a C-nitro compound (CHEBI:35716)
acetic acid [4-[2-(8-acetyloxy-2-quinolinyl)ethenyl]-2-ethoxy-3-nitrophenyl] ester (CHEBI:121491) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-32934 LINCS
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