compound 0281815

Properties Image MNX_ID MNXM1198087 reference envipathM:...352596579382 formula C22H19Br2NO5 global charge 0 mol weight 537.204 InChIKey IWDQHXFSRLSSCQ-UHFFFAOYSA-N InChI InChI=1S/C22H19Br2NO5/c1-20(2)21(27,12-18(23)24)22(20,28)19(26)30-17(13-25)14-7-6-10-16(11-14)29-15-8-4-3-5-9-15/h3-12,17,27-28H,1-2H3 SMILES CC1(C)C(O)(C=C(Br)Br)C1(O)C(=O)OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1 MNX internals InChI (mnx) InChI=1/C22H19Br2NO5/c1-20(2)21(27,12-18(23)24)22(20,28)19(26)30-17(13-25)14-7-6-10-16(11-14)29-15-8-4-3-5-9-15/h3-12,17,27-28H,1-2H3/t17?,21?,22? SMILES (mnx) [CH3:1][C:20]1([CH3:2])[C:21]([CH:12]=[C:18]([Br:23])[Br:24])([OH:27])[C:22]1([C:19](=[O:26])[O:30][CH:17]([C:13]#[N:25])[C:14]1=[CH:11][C:16]([O:29][C:15]2=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]2)=[CH:10][CH:6]=[CH:7]1)[OH:28]

Parent-child relations graph

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