N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-3-ethynyl-aniline

Systemtic Name: N-[[2,4-bis(fluoranyl)-5-nitro-phenyl]methyl]-3-ethynyl-aniline Openeye Name: N-[(2,4-difluoro-5-nitro-phenyl)methyl]-3-ethynyl-aniline CAS Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-ethynylaniline IUPAC Name: N-[(2,4-difluoro-5-nitrophenyl)methyl]-3-ethynylaniline Traditional Name: (2,4-difluoro-5-nitro-benzyl)-(3-ethynylphenyl)amine Formula: C15H10F2N2O2 MolecularWeight: 288.248906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H10F2N2O2/c1-2-10-4-3-5-12(6-10)18-9-11-7-15(19(20)21)14(17)8-13(11)16/h1,3-8,18H,9H2