Catalog Number:
AG009CG7
Chemical Name:
2-Hexenoic acid, 2-(acetylamino)-5-(2,3-difluorophenyl)-6-nitro-, compd. with N,N-dibutyl-1-butanamine (1
CAS Number:
1254841-06-9
Molecular Formula:
C26H41F2N3O5
Molecular Weight:
513.6176
MDL Number:
MFCD29472306
IUPAC Name:
(Z,5S)-2-acetamido-5-(2,3-difluorophenyl)-6-nitrohex-2-enoic acid;N,N-dibutylbutan-1-amine
InChI:
InChI=1S/C14H14F2N2O5.C12H27N/c1-8(19)17-12(14(20)21)6-5-9(7-18(22)23)10-3-2-4-11(15)13(10)16;1-4-7-10-13(11-8-5-2)12-9-6-3/h2-4,6,9H,5,7H2,1H3,(H,17,19)(H,20,21);4-12H2,1-3H3/b12-6-;/t9-;/m1./s1
InChI Key:
WAOGWLQVZAJQGK-JBNPPGAJSA-N
SMILES:
[O-][N+](=O)C[C@H](c1cccc(c1F)F)C/C=C(/C(=O)O)\NC(=O)C.CCCCN(CCCC)CCCC
