3-[6-oxidanyl-2,7-bis(oxidanylidene)-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[6-oxidanyl-2,7-bis(oxidanylidene)-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid Openeye Name: 3-[6-hydroxy-2,7-dioxo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid CAS Name: 3-[6-hydroxy-2,7-dioxo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid IUPAC Name: 3-[6-hydroxy-2,7-dioxo-4-(trifluoromethyl)-3H-quinazolin-1-yl]propanoic acid Traditional Name: 3-[6-hydroxy-2,7-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=C(C1=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O5/c13-12(14,15)10-5-3-7(18)8(19)4-6(5)17(11(22)16-10)2-1-9(20)21/h3-4,18H,1-2H2,(H,16,22)(H,20,21)