4-[2-[(E)-2-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(2-bromo-5-hydroxy-4-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(2-bromo-5-hydroxy-4-methoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(2-bromo-5-hydroxy-4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(2-bromo-5-hydroxy-4-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C24H17BrN2O5 MolecularWeight: 493.30618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)O

InChI

InChI=1S/C24H17BrN2O5/c1-32-21-13-18(25)15(12-20(21)28)8-11-22-26-19-5-3-2-4-17(19)23(29)27(22)16-9-6-14(7-10-16)24(30)31/h2-13,28H,1H3,(H,30,31)/b11-8+