[(2R)-7-methyl-3-oxidanylidene-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ethanoate

Systemtic Name: [(2R)-7-methyl-3-oxidanylidene-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ethanoate Openeye Name: [(2R)-7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] acetate CAS Name: acetic acid [(2R)-7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester IUPAC Name: [(2R)-7-methyl-3-oxo-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] acetate Traditional Name: acetic acid [(2R)-3-keto-7-methyl-2-(trifluoromethyl)-4H-1,4-benzoxazin-2-yl] ester Formula: C12H10F3NO4 MolecularWeight: 289.20731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(O2)(C(F)(F)F)OC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)[C@](O2)(C(F)(F)F)OC(=O)C

InChI

InChI=1S/C12H10F3NO4/c1-6-3-4-8-9(5-6)20-11(10(18)16-8,12(13,14)15)19-7(2)17/h3-5H,1-2H3,(H,16,18)/t11-/m0/s1