butyl 2-(2-cyclopropylethynyl)-3-oxidanylidene-2-(trifluoromethyl)-4H-quinoxaline-1-carboxylate

Systemtic Name: butyl 2-(2-cyclopropylethynyl)-3-oxidanylidene-2-(trifluoromethyl)-4H-quinoxaline-1-carboxylate Openeye Name: butyl 2-(2-cyclopropylethynyl)-3-oxo-2-(trifluoromethyl)-4H-quinoxaline-1-carboxylate CAS Name: 2-(2-cyclopropylethynyl)-3-oxo-2-(trifluoromethyl)-4H-quinoxaline-1-carboxylic acid butyl ester IUPAC Name: butyl 2-(2-cyclopropylethynyl)-3-oxo-2-(trifluoromethyl)-4H-quinoxaline-1-carboxylate Traditional Name: 2-(2-cyclopropylethynyl)-3-keto-2-(trifluoromethyl)-4H-quinoxaline-1-carboxylic acid butyl ester Formula: C19H19F3N2O3 MolecularWeight: 380.36097

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1C2=CC=CC=C2NC(=O)C1(C#CC3CC3)C(F)(F)F

Isomeric SMILES

CCCCOC(=O)N1C2=CC=CC=C2NC(=O)C1(C#CC3CC3)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O3/c1-2-3-12-27-17(26)24-15-7-5-4-6-14(15)23-16(25)18(24,19(20,21)22)11-10-13-8-9-13/h4-7,13H,2-3,8-9,12H2,1H3,(H,23,25)