3-[2-[(E)-2-(5-bromanyl-2-fluoranyl-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(5-bromanyl-2-fluoranyl-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(5-bromo-2-fluoro-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(5-bromo-2-fluorophenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(5-bromo-2-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(5-bromo-2-fluoro-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C19H14BrFN2O3 MolecularWeight: 417.228463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=C(C=CC(=C3)Br)F)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=C(C=CC(=C3)Br)F)CCC(=O)O

InChI

InChI=1S/C19H14BrFN2O3/c20-13-6-7-15(21)12(11-13)5-8-17-22-16-4-2-1-3-14(16)19(26)23(17)10-9-18(24)25/h1-8,11H,9-10H2,(H,24,25)/b8-5+