CHEBI:111441 - 6-[4-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]-1-cyclohexa-2,4-dienone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-[4-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]-1-cyclohexa-2,4-dienone
ChEBI ID CHEBI:111441
Stars This entity has been manually annotated by a third party.
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Formula C24H21N3O6
Net Charge 0
Average Mass 447.441
Monoisotopic Mass 447.14304
InChI InChI=1S/C24H21N3O6/c1-31-22-10-5-16(11-23(22)32-2)20-13-25-26-24(20)19-9-8-18(12-21(19)28)33-14-15-3-6-17(7-4-15)27(29)30/h3-13,25-26H,14H2,1-2H3
InChIKey QBCCKNGUIQXHQK-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)C2=CNNC2=C3C=CC(=CC3=O)OCC4=CC=C(C=C4)[N+](=O)[O-])OC
ChEBI Ontology
Outgoing 6-[4-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]-1-cyclohexa-2,4-dienone (CHEBI:111441) is a stilbenoid (CHEBI:26776)
Manual Xref Database
LSM-22897 LINCS
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