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3-(4-chlorophenyl)-2-{2-[3-(2-methylpyrimidin-4-yl)phenyl]hydrazono}-3-oxopropanenitrile

PropertiesImage
MNX_IDMNXM1128923 Image of MNXM1128923
referencechebi:167792
formulaC20H14ClN5O
global charge0
mol weight375.819
InChIKeyIEMUSDOCZXLHBG-UHFFFAOYSA-N
InChIInChI=1S/C20H14ClN5O/c1-13-23-10-9-18(24-13)15-3-2-4-17(11-15)25-26-19(12-22)20(27)14-5-7-16(21)8-6-14/h2-11,25H,1H3
SMILESCC1=NC=CC(C2=CC(NN=C(C#N)C(=O)C3=CC=C(Cl)C=C3)=CC=C2)=N1
MNX internals
InChI (mnx)InChI=1/C20H14ClN5O/c1-13-23-10-9-18(24-13)15-3-2-4-17(11-15)25-26-19(12-22)20(27)14-5-7-16(21)8-6-14/h2-11,25H,1H3/b26-19? Image of MNXM1128923
SMILES (mnx)[CH3:1][C:13]1=[N:23][CH:10]=[CH:9][C:18]([C:15]2=[CH:11][C:17]([NH:25][N:26]=[C:19]([C:12]#[N:22])[C:20]([C:14]3=[CH:6][CH:8]=[C:16]([Cl:21])[CH:7]=[CH:5]3)=[O:27])=[CH:4][CH:2]=[CH:3]2)=[N:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:167792
chebi:167792
IEMUSDOCZXLHBG-UHFFFAOYSA-N
3-(4-chlorophenyl)-2-{2-[3-(2-methylpyrimidin-4-yl)phenyl]hydrazono}-3-oxopropanenitrile
2-(4-chlorophenyl)-N-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethanimidoyl cyanide