4-[2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C24H15BrN2O5 MolecularWeight: 491.2903

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C(=O)O)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C(=O)O)Br

InChI

InChI=1S/C24H15BrN2O5/c25-18-12-21-20(31-13-32-21)11-15(18)7-10-22-26-19-4-2-1-3-17(19)23(28)27(22)16-8-5-14(6-9-16)24(29)30/h1-12H,13H2,(H,29,30)/b10-7+