4-[2-(4-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-(4-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-(4-chlorophenyl)-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-(4-chlorophenyl)-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-(4-chlorophenyl)-4-keto-quinazolin-3-yl]benzoic acid Formula: C21H13ClN2O3 MolecularWeight: 376.79252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClN2O3/c22-15-9-5-13(6-10-15)19-23-18-4-2-1-3-17(18)20(25)24(19)16-11-7-14(8-12-16)21(26)27/h1-12H,(H,26,27)