CHEBI:109078 - benzenesulfonic acid [2-methoxy-5-[[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzenesulfonic acid [2-methoxy-5-[[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
ChEBI ID CHEBI:109078
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H17N3O7S
Net Charge 0
Average Mass 455.442
Monoisotopic Mass 455.07872
InChI InChI=1S/C21H17N3O7S/c1-30-19-11-10-15(12-20(19)31-32(28,29)18-8-3-2-4-9-18)14-22-23-21(25)16-6-5-7-17(13-16)24(26)27/h2-14H,1H3,(H,23,25)
InChIKey BDPPMYZEYLKWLL-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3
ChEBI Ontology
Outgoing benzenesulfonic acid [2-methoxy-5-[[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester (CHEBI:109078) is a benzenesulfonate ester (CHEBI:83352)
Manual Xref Database
LSM-20476 LINCS
View more database links