2,2,2-tris(fluoranyl)-N-[3-[2-[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]-phenyl-amino]phenoxy]ethoxy]-5-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[3-[2-[4-[[4-[(4-nitrophenyl)diazenyl]phenyl]-phenyl-amino]phenoxy]ethoxy]-5-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]ethanamide Openeye Name: 2,2,2-trifluoro-N-[3-[2-[4-(N-[4-(4-nitrophenyl)azophenyl]anilino)phenoxy]ethoxy]-5-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide CAS Name: 2,2,2-trifluoro-N-[3-[2-[4-(N-[4-(4-nitrophenyl)azophenyl]anilino)phenoxy]ethoxy]-5-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]acetamide IUPAC Name: 2,2,2-trifluoro-N-[3-[2-[4-(N-[4-[(4-nitrophenyl)diazenyl]phenyl]anilino)phenoxy]ethoxy]-5-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide Traditional Name: 2,2,2-trifluoro-N-[3-[2-[4-(N-[4-(4-nitrophenyl)azophenyl]anilino)phenoxy]ethoxy]-5-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide Formula: C36H26F6N6O6 MolecularWeight: 752.618659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OCCOC5=CC(=CC(=C5)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OCCOC5=CC(=CC(=C5)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F

InChI

InChI=1S/C36H26F6N6O6/c37-35(38,39)33(49)43-25-20-26(44-34(50)36(40,41)42)22-32(21-25)54-19-18-53-31-16-14-29(15-17-31)47(27-4-2-1-3-5-27)28-10-6-23(7-11-28)45-46-24-8-12-30(13-9-24)48(51)52/h1-17,20-22H,18-19H2,(H,43,49)(H,44,50)