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

Systemtic Name: 3-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 3-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 3-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 3-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 3-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C24H16N2O5 MolecularWeight: 412.39424

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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=CC(=C5)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H16N2O5/c27-23-18-6-1-2-7-19(18)25-22(26(23)17-5-3-4-16(13-17)24(28)29)11-9-15-8-10-20-21(12-15)31-14-30-20/h1-13H,14H2,(H,28,29)/b11-9+