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

Systemtic Name: 2-[4-[[[3-(2-fluoranyl-4-nitro-phenoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[[3-(2-fluoro-4-nitro-phenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[[3-(2-fluoro-4-nitrophenoxy)-2-hydroxypropyl]-methylamino]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[[3-(2-fluoro-4-nitrophenoxy)-2-hydroxypropyl]-methylamino]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[3-(2-fluoro-4-nitro-phenoxy)-2-hydroxy-propyl]-methyl-amino]methyl]phenyl]benzonitrile Formula: C24H22FN3O4 MolecularWeight: 435.447583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC(COC3=C(C=C(C=C3)[N+](=O)[O-])F)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)CC(COC3=C(C=C(C=C3)[N+](=O)[O-])F)O

InChI

InChI=1S/C24H22FN3O4/c1-27(15-21(29)16-32-24-11-10-20(28(30)31)12-23(24)25)14-17-6-8-18(9-7-17)22-5-3-2-4-19(22)13-26/h2-12,21,29H,14-16H2,1H3