3-[2-(4-fluoranyl-3-nitro-phenyl)ethynyl]aniline

Systemtic Name: 3-[2-(4-fluoranyl-3-nitro-phenyl)ethynyl]aniline Openeye Name: 3-[2-(4-fluoro-3-nitro-phenyl)ethynyl]aniline CAS Name: 3-[2-(4-fluoro-3-nitrophenyl)ethynyl]aniline IUPAC Name: 3-[2-(4-fluoro-3-nitrophenyl)ethynyl]aniline Traditional Name: [3-[2-(4-fluoro-3-nitro-phenyl)ethynyl]phenyl]amine Formula: C14H9FN2O2 MolecularWeight: 256.231863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C#CC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N)C#CC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C14H9FN2O2/c15-13-7-6-11(9-14(13)17(18)19)5-4-10-2-1-3-12(16)8-10/h1-3,6-9H,16H2