4-[(E)-2-[3-(4-carboxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethenyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H16N2O5/c27-22-19-3-1-2-4-20(19)25-21(14-7-15-5-8-16(9-6-15)23(28)29)26(22)18-12-10-17(11-13-18)24(30)31/h1-14H,(H,28,29)(H,30,31)/b14-7+