ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-2-(quinoxalin-6-ylmethyl)butanoate

Systemtic Name: ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-2-(quinoxalin-6-ylmethyl)butanoate Openeye Name: ethyl 4,4,4-trifluoro-3-oxo-2-(quinoxalin-6-ylmethyl)butanoate CAS Name: 4,4,4-trifluoro-3-oxo-2-(6-quinoxalinylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 4,4,4-trifluoro-3-oxo-2-(quinoxalin-6-ylmethyl)butanoate Traditional Name: 4,4,4-trifluoro-3-keto-2-(quinoxalin-6-ylmethyl)butyric acid ethyl ester Formula: C15H13F3N2O3 MolecularWeight: 326.27053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=NC=CN=C2C=C1)C(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(CC1=CC2=NC=CN=C2C=C1)C(=O)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O3/c1-2-23-14(22)10(13(21)15(16,17)18)7-9-3-4-11-12(8-9)20-6-5-19-11/h3-6,8,10H,2,7H2,1H3