CHEBI:109079 - 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide
ChEBI ID CHEBI:109079
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H22ClN3O6
Net Charge 0
Average Mass 507.923
Monoisotopic Mass 507.11971
InChI InChI=1S/C26H22ClN3O6/c1-15-21(13-25(32)28-14-17-11-19(30(34)35)7-10-24(17)31)22-12-20(36-2)8-9-23(22)29(15)26(33)16-3-5-18(27)6-4-16/h3-12,31H,13-14H2,1-2H3,(H,28,32)
InChIKey TWKARRBOKOIBHF-UHFFFAOYSA-N
SMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O
ChEBI Ontology
Outgoing 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide (CHEBI:109079) is a N-acylindole (CHEBI:75884)
Manual Xref Database
LSM-20477 LINCS
View more database links