2-[2-(4-fluorophenyl)ethynyl]-4-nitro-benzoic acid

Systemtic Name: 2-[2-(4-fluorophenyl)ethynyl]-4-nitro-benzoic acid Openeye Name: 2-[2-(4-fluorophenyl)ethynyl]-4-nitro-benzoic acid CAS Name: 2-[2-(4-fluorophenyl)ethynyl]-4-nitrobenzoic acid IUPAC Name: 2-[2-(4-fluorophenyl)ethynyl]-4-nitrobenzoic acid Traditional Name: 2-[2-(4-fluorophenyl)ethynyl]-4-nitro-benzoic acid Formula: C15H8FNO4 MolecularWeight: 285.226723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C#CC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)F

InChI

InChI=1S/C15H8FNO4/c16-12-5-2-10(3-6-12)1-4-11-9-13(17(20)21)7-8-14(11)15(18)19/h2-3,5-9H,(H,18,19)