CHEBI:123443 - 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
ChEBI ID CHEBI:123443
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H21N5O6
Net Charge 0
Average Mass 439.422
Monoisotopic Mass 439.14918
InChI InChI=1S/C21H21N5O6/c1-14-5-7-18(8-6-14)32-19-12-16(11-17(13-19)25(28)29)22-21(27)4-3-9-24-15(2)10-20(23-24)26(30)31/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,27)
InChIKey VZXQLBZUZNULIW-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C
ChEBI Ontology
Outgoing 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide (CHEBI:123443) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-34885 LINCS
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