Search MNXref
 Feedback

CGA 357276

PropertiesImage
MNX_IDMNXM1137827 Image of MNXM1137827
referenceenvipathM:...14f7cdafa5ca
formulaC17H13F3N2O
global charge0
mol weight318.298
InChIKeyCXPMTIVZGJJMSD-WSDLNYQXSA-N
InChIInChI=1S/C17H13F3N2O/c1-12(13-7-4-8-16(9-13)17(18,19)20)22-23-11-15-6-3-2-5-14(15)10-21/h2-9H,11H2,1H3/b22-12+
SMILESC/C(=N\OCC1=C(C#N)C=CC=C1)C1=CC=CC(C(F)(F)F)=C1
MNX internals
InChI (mnx)InChI=1/C17H13F3N2O/c1-12(13-7-4-8-16(9-13)17(18,19)20)22-23-11-15-6-3-2-5-14(15)10-21/h2-9H,11H2,1H3/b22-12+ Image of MNXM1137827
SMILES (mnx)[CH3:1]/[C:12]([C:13]1=[CH:9][C:16]([C:17]([F:18])([F:19])[F:20])=[CH:8][CH:4]=[CH:7]1)=[N:22]\[O:23][CH2:11][C:15]1=[CH:6][CH:3]=[CH:2][CH:5]=[C:14]1[C:10]#[N:21]
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

envipath:...14f7cdafa5ca
envipathM:...14f7cdafa5ca
CXPMTIVZGJJMSD-WSDLNYQXSA-N 		CGA 357276