N-[[2-[bis(fluoranyl)methoxy]-5-chloranyl-phenyl]methyl]-3-ethynyl-aniline

Systemtic Name: N-[[2-[bis(fluoranyl)methoxy]-5-chloranyl-phenyl]methyl]-3-ethynyl-aniline Openeye Name: N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-ethynyl-aniline CAS Name: N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-ethynylaniline IUPAC Name: N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-ethynylaniline Traditional Name: [5-chloro-2-(difluoromethoxy)benzyl]-(3-ethynylphenyl)amine Formula: C16H12ClF2NO MolecularWeight: 307.722386

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=C(C=CC(=C2)Cl)OC(F)F

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=C(C=CC(=C2)Cl)OC(F)F

InChI

InChI=1S/C16H12ClF2NO/c1-2-11-4-3-5-14(8-11)20-10-12-9-13(17)6-7-15(12)21-16(18)19/h1,3-9,16,20H,10H2