2-[3-(4-bromanyl-2-fluoranyl-phenyl)-5-methoxy-2,4-bis(oxidanylidene)quinazolin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-bromanyl-2-fluoranyl-phenyl)-5-methoxy-2,4-bis(oxidanylidene)quinazolin-1-yl]ethanoic acid Openeye Name: 2-[3-(4-bromo-2-fluoro-phenyl)-5-methoxy-2,4-dioxo-quinazolin-1-yl]acetic acid CAS Name: 2-[3-(4-bromo-2-fluorophenyl)-5-methoxy-2,4-dioxo-1-quinazolinyl]acetic acid IUPAC Name: 2-[3-(4-bromo-2-fluorophenyl)-5-methoxy-2,4-dioxoquinazolin-1-yl]acetic acid Traditional Name: 2-[3-(4-bromo-2-fluoro-phenyl)-2,4-diketo-5-methoxy-quinazolin-1-yl]acetic acid Formula: C17H12BrFN2O5 MolecularWeight: 423.189983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)N(C(=O)N2CC(=O)O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=CC2=C1C(=O)N(C(=O)N2CC(=O)O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H12BrFN2O5/c1-26-13-4-2-3-12-15(13)16(24)21(17(25)20(12)8-14(22)23)11-6-5-9(18)7-10(11)19/h2-7H,8H2,1H3,(H,22,23)