3-[2,7-bis(oxidanylidene)-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[2,7-bis(oxidanylidene)-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid Openeye Name: 3-[2,7-dioxo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid CAS Name: 3-[2,7-dioxo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid IUPAC Name: 3-[2,7-dioxo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid Traditional Name: 3-[2,7-diketo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propionic acid Formula: C12H9F3N2O4 MolecularWeight: 302.20607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC(=O)N(C2=CC1=O)CCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC2=C(NC(=O)N(C2=CC1=O)CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O4/c13-12(14,15)10-7-2-1-6(18)5-8(7)17(11(21)16-10)4-3-9(19)20/h1-2,5H,3-4H2,(H,16,21)(H,19,20)