benzene; 1-ethynyl-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid

Systemtic Name: benzene; 1-ethynyl-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Openeye Name: benzene; 1-ethynyl-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid CAS Name: benzene; 1-ethynyl-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid IUPAC Name: benzene; 1-ethynyl-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Traditional Name: benzene; 1-ethynyl-2-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Formula: C19H14F3NO2 MolecularWeight: 345.31517

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Descriptors Computed from Structure

Canonical SMILES:

C#CN1C(C(=CC2=CC=CC=C21)C(=O)O)C(F)(F)F.C1=CC=CC=C1

Isomeric SMILES

C#CN1C(C(=CC2=CC=CC=C21)C(=O)O)C(F)(F)F.C1=CC=CC=C1

InChI

InChI=1S/C13H8F3NO2.C6H6/c1-2-17-10-6-4-3-5-8(10)7-9(12(18)19)11(17)13(14,15)16;1-2-4-6-5-3-1/h1,3-7,11H,(H,18,19);1-6H