CHEBI:107237 - 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
ChEBI ID CHEBI:107237
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H16BrN3O3
Net Charge 0
Average Mass 402.242
Monoisotopic Mass 401.03750
InChI InChI=1S/C18H16BrN3O3/c1-12-17(18(23)22(20-12)15-5-3-2-4-6-15)16(11-21(24)25)13-7-9-14(19)10-8-13/h2-10,16,20H,11H2,1H3
InChIKey MAYRVCMDSVVHFK-UHFFFAOYSA-N
SMILES CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=C(C=C3)Br
ChEBI Ontology
Outgoing 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:107237) is a pyrazoles (CHEBI:26410)
4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:107237) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-18591 LINCS
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