basic_info |
|
| Product_Name: | 4-BROMO A-23187, 1-(4,5-DIMETHOXY-2-NITROPHENYL)ETHYL ESTER |
| EnglishSynonyms: | 4-BROMO A-23187, 1-(4,5-DIMETHOXY-2-NITROPHENYL)ETHYL ESTER ; DMNPE-CAGED BR A-23187 |
| pro_mdlNumber: | MFCD00467439 |
| pro_acceptors: | 14 |
| pro_donors: | 2 |
| pro_smile: | [H][C@@]1(O[C@@]2(CC[C@H](C)[C@H](CC3=NC4=C(O3)C(Br)=CC(NC)=C4C(=O)OC(C)C3=C(C=C(OC)C(OC)=C3)[N+]([O-])=O)O2)[C@H](C)C[C@H]1C)[C@@H](C)C(=O)C1=CC=CN1 |
| InChi: | InChI=1S/C39H47BrN4O10/c1-19-11-12-39(21(3)14-20(2)36(54-39)22(4)35(45)26-10-9-13-42-26)53-29(19)18-32-43-34-33(27(41-6)16-25(40)37(34)52-32)38(46)51-23(5)24-15-30(49-7)31(50-8)17-28(24)44(47)48/h9-10,13,15-17,19-23,29,36,41-42H,11-12,14,18H2,1-8H3/t19-,20+,21+,22-,23?,29-,36-,39-/m0/s1 |
| InChiKey: | InChIKey=OPXVCPWPHMXGQU-BVLDOAODSA-N |
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