3-[4-[[[3-(2-fluoranyl-4-nitro-phenoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]phenyl]-4-methoxy-benzenecarbonitrile

Systemtic Name: 3-[4-[[[3-(2-fluoranyl-4-nitro-phenoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]phenyl]-4-methoxy-benzenecarbonitrile Openeye Name: 3-[4-[[[3-(2-fluoro-4-nitro-phenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]phenyl]-4-methoxy-benzonitrile CAS Name: 3-[4-[[[3-(2-fluoro-4-nitrophenoxy)-2-hydroxypropyl]-methylamino]methyl]phenyl]-4-methoxybenzonitrile IUPAC Name: 3-[4-[[[3-(2-fluoro-4-nitrophenoxy)-2-hydroxypropyl]-methylamino]methyl]phenyl]-4-methoxybenzonitrile Traditional Name: 3-[4-[[[3-(2-fluoro-4-nitro-phenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]phenyl]-4-methoxy-benzonitrile Formula: C25H24FN3O5 MolecularWeight: 465.473563

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C2=C(C=CC(=C2)C#N)OC)CC(COC3=C(C=C(C=C3)[N+](=O)[O-])F)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)C2=C(C=CC(=C2)C#N)OC)CC(COC3=C(C=C(C=C3)[N+](=O)[O-])F)O

InChI

InChI=1S/C25H24FN3O5/c1-28(15-21(30)16-34-25-10-8-20(29(31)32)12-23(25)26)14-17-3-6-19(7-4-17)22-11-18(13-27)5-9-24(22)33-2/h3-12,21,30H,14-16H2,1-2H3