Primary record
AC1LWEME
- CAS
- 351995-27-2
- PubChem CID
- 1726615
- SMILES
- C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)OCC(=O)C3=CC=C(C=C3)Br
- Molecular Formula
- C22H19BrN2O7
- Molecular Weight
- 503.305
- Exact Mass
- 502.0376
- InChI
- InChI=1S/C22H19BrN2O7/c23-15-10-8-14(9-11-15)18(26)13-32-19(27)7-2-1-3-12-24-21(28)16-5-4-6-17(25(30)31)20(16)22(24)29/h4-6,8-11H,1-3,7,12-13H2
- InChIKey
- KETPWCDVRACPLN-UHFFFAOYSA-N
- LogP
- 3.9398
- TPSA
- 123.89
Names and synonyms
- AC1LWEME
- KETPWCDVRACPLN-UHFFFAOYSA-N
- ZINC2062857
- STK267989
- ZINC02062857
- AKOS003242752
- CID1726615
- ST51061536
- AK-918/11239039
- 2-(4-bromophenyl)-2-oxoethyl 6-{4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}hexanoate
- [2-(4-bromophenyl)-2-oxoethyl] 6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoate
- 2-(4-bromophenyl)-2-oxoethyl 6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
- 351995-27-2
- 2-(4-bromophenyl)-2-oxoethyl 6-(4-nitro-1,3-dioxobenzo[c]azolin-2-yl)hexanoate