compound 0061660

Properties Image MNX_ID MNXM1187216 reference envipathM:...252a0004158a formula C13H16F3N3O5 global charge 0 mol weight 351.281 InChIKey PLWIYYOLOAQULB-UHFFFAOYSA-N InChI InChI=1S/C13H16F3N3O5/c1-2-4-17(5-3-6-20)12-10(18(21)22)7-9(13(14,15)16)8-11(12)19(23)24/h7-8,20H,2-6H2,1H3 SMILES CCCN(CCCO)C1=C([N+](=O)[O-])C=C(C(F)(F)F)C=C1[N+](=O)[O-] MNX internals InChI (mnx) InChI=1/C13H16F3N3O5/c1-2-4-17(5-3-6-20)12-10(18(21)22)7-9(13(14,15)16)8-11(12)19(23)24/h7-8,20H,2-6H2,1H3 SMILES (mnx) [CH3:1][CH2:2][CH2:4][N:17]([CH2:5][CH2:3][CH2:6][OH:20])[C:12]1=[C:10]([N+:18]([O-:21])=[O:22])[CH:7]=[C:9]([C:13]([F:14])([F:15])[F:16])[CH:8]=[C:11]1[N+:19]([O-:23])=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0