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4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone

PropertiesImage
MNX_IDMNXM10159 Image of MNXM10159
referencechebi:82562
formulaC9H11N3O2
global charge0
mol weight193.206
InChIKeyNCSVUFYZLCBFKE-UHFFFAOYSA-N
InChIInChI=1S/C9H11N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2,(H,11,14)
SMILESO=NNCCCC(=O)C1=CN=CC=C1
MNX internals
InChI (mnx)InChI=1/C9H11N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2,(H,11,14) Image of MNXM10159
SMILES (mnx)[CH:1]1=[CH:3][C:8]([C:9]([CH2:4][CH2:2][CH2:6][N:11]=[N:12][OH:14])=[O:13])=[CH:7][N:10]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd20818
seedM:cpd20818
CHEBI:82562
chebi:82562
kegg.compound:C19564
keggC:C19564
NCSVUFYZLCBFKE-UHFFFAOYSA-N 		4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone

vmhM:M00931
vmhmetabolite:M00931
NCSVUFYZLCBFKE-UHFFFAOYSA-N 		4-(Nitrosoamino)-1-(3-Pyridinyl)-1-Butanone
4-(2-hydroxydiazen-1-yl)-1-(pyridin-3-yl)butan-1-one
hmdb:HMDB0062376
NCSVUFYZLCBFKE-UHFFFAOYSA-N 		4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone
4-(2-hydroxydiazen-1-yl)-1-(pyridin-3-yl)butan-1-one

hmdb:HMDB62376
keggC:M_C19564
seedM:M_cpd20818
vmhM:M_M00931 		secondary/obsolete/fantasy identifier