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

Systemtic Name: 2-methylpropyl 2-(2-cyclopropylethynyl)-3-oxidanylidene-2-(trifluoromethyl)-4H-quinoxaline-1-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C19H19F3N2O3 MolecularWeight: 380.36097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O3/c1-12(2)11-27-17(26)24-15-6-4-3-5-14(15)23-16(25)18(24,19(20,21)22)10-9-13-7-8-13/h3-6,12-13H,7-8,11H2,1-2H3,(H,23,25)