3-[3-oxidanylidene-4-prop-2-enyl-7-(trifluoromethyl)quinoxalin-2-yl]propanoic acid

Systemtic Name: 3-[3-oxidanylidene-4-prop-2-enyl-7-(trifluoromethyl)quinoxalin-2-yl]propanoic acid Openeye Name: 3-[4-allyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoic acid CAS Name: 3-[3-oxo-4-prop-2-enyl-7-(trifluoromethyl)-2-quinoxalinyl]propanoic acid IUPAC Name: 3-[3-oxo-4-prop-2-enyl-7-(trifluoromethyl)quinoxalin-2-yl]propanoic acid Traditional Name: 3-[4-allyl-3-keto-7-(trifluoromethyl)quinoxalin-2-yl]propionic acid Formula: C15H13F3N2O3 MolecularWeight: 326.27053

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C(C1=O)CCC(=O)O

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C(C1=O)CCC(=O)O

InChI

InChI=1S/C15H13F3N2O3/c1-2-7-20-12-5-3-9(15(16,17)18)8-11(12)19-10(14(20)23)4-6-13(21)22/h2-3,5,8H,1,4,6-7H2,(H,21,22)