3-[3-oxidanylidene-2-propan-2-yl-6-(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[3-oxidanylidene-2-propan-2-yl-6-(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[2-isopropyl-3-oxo-6-(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[3-oxo-2-propan-2-yl-6-(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[3-oxo-2-propan-2-yl-6-(trifluoromethyl)-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[2-isopropyl-3-keto-6-(trifluoromethyl)-1,4-benzoxazin-4-yl]propionic acid Formula: C15H16F3NO4 MolecularWeight: 331.28705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(F)(F)F)CCC(=O)O

Isomeric SMILES

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(F)(F)F)CCC(=O)O

InChI

InChI=1S/C15H16F3NO4/c1-8(2)13-14(22)19(6-5-12(20)21)10-7-9(15(16,17)18)3-4-11(10)23-13/h3-4,7-8,13H,5-6H2,1-2H3,(H,20,21)