3-O-ethylentacapone

Properties Image MNX_ID MNXM36707 reference chebi:48380 formula C16H19N3O5 global charge 0 mol weight 333.344 InChIKey FGJZUPPLPIHQSE-KPKJPENVSA-N InChI InChI=1S/C16H19N3O5/c1-4-18(5-2)16(21)12(10-17)7-11-8-13(19(22)23)15(20)14(9-11)24-6-3/h7-9,20H,4-6H2,1-3H3/b12-7+ SMILES CCOC1=C(O)C([N+](=O)[O-])=CC(/C=C(\C#N)C(=O)N(CC)CC)=C1 MNX internals InChI (mnx) InChI=1/C16H19N3O5/c1-4-18(5-2)16(21)12(10-17)7-11-8-13(19(22)23)15(20)14(9-11)24-6-3/h7-9,20H,4-6H2,1-3H3/b12-7+ SMILES (mnx) [CH3:1][CH2:4][N:18]([CH2:5][CH3:2])[C:16](/[C:12](=[CH:7]/[C:11]1=[CH:8][C:13]([N+:19]([O-:22])=[O:23])=[C:15]([OH:20])[C:14]([O:24][CH2:6][CH3:3])=[CH:9]1)[C:10]#[N:17])=[O:21]

Parent-child relations graph

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