Name | 3-(diphenylamino)-2-iodocyclohex-2-enone |
Synonyms | 2-iodo-3-(N-phenylanilino)-1-cyclohex-2-enone |
CAS | 1220515-72-9 |
InChI | InChI=1S/C18H17NO4/c1-23-18(20)16(13-15-5-3-2-4-6-15)10-7-14-8-11-17(12-9-14)19(21)22/h2-6,8-9,11-13H,7,10H2,1H3/b16-13- |
InChIKey | HBUGYTQDOXVJKL-SSZFMOIBSA-N |
Canonical Smiles | COC(=O)C(=CC1=CC=CC=C1)CCC2=CC=C(C=C2)[N+](=O)[O-] |
Isomers Smiles | COC(=O)/C(=C\C1=CC=CC=C1)/CCC2=CC=C(C=C2)[N+](=O)[O-] |
Molecular Formula | C18H17NO4 |
Molar Mass | 389.2 |
PSA | 20.31000 |
logP | 5.22430 |