3-[6-oxidanyl-2,5-bis(oxidanylidene)-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[6-oxidanyl-2,5-bis(oxidanylidene)-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid Openeye Name: 3-[6-hydroxy-2,5-dioxo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid CAS Name: 3-[6-hydroxy-2,5-dioxo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid IUPAC Name: 3-[6-hydroxy-2,5-dioxo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid Traditional Name: 3-[6-hydroxy-2,5-diketo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propionic acid Formula: C12H9F3N2O5 MolecularWeight: 318.20547

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(NC(=O)N2CCC(=O)O)C(F)(F)F)C(=O)C(=C1)O

Isomeric SMILES

C1=C2C(=C(NC(=O)N2CCC(=O)O)C(F)(F)F)C(=O)C(=C1)O

InChI

InChI=1S/C12H9F3N2O5/c13-12(14,15)10-8-5(1-2-6(18)9(8)21)17(11(22)16-10)4-3-7(19)20/h1-2,18H,3-4H2,(H,16,22)(H,19,20)