2-butyl-3-chloranyl-6-[2,2,2-tris(fluoranyl)ethoxy]quinoxaline-5-carboxylic acid

Systemtic Name: 2-butyl-3-chloranyl-6-[2,2,2-tris(fluoranyl)ethoxy]quinoxaline-5-carboxylic acid Openeye Name: 2-butyl-3-chloro-6-(2,2,2-trifluoroethoxy)quinoxaline-5-carboxylic acid CAS Name: 2-butyl-3-chloro-6-(2,2,2-trifluoroethoxy)-5-quinoxalinecarboxylic acid IUPAC Name: 2-butyl-3-chloro-6-(2,2,2-trifluoroethoxy)quinoxaline-5-carboxylic acid Traditional Name: 2-butyl-3-chloro-6-(2,2,2-trifluoroethoxy)quinoxaline-5-carboxylic acid Formula: C15H14ClF3N2O3 MolecularWeight: 362.73147

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=C(C=C2)OCC(F)(F)F)C(=O)O)N=C1Cl

Isomeric SMILES

CCCCC1=NC2=C(C(=C(C=C2)OCC(F)(F)F)C(=O)O)N=C1Cl

InChI

InChI=1S/C15H14ClF3N2O3/c1-2-3-4-9-13(16)21-12-8(20-9)5-6-10(11(12)14(22)23)24-7-15(17,18)19/h5-6H,2-4,7H2,1H3,(H,22,23)