4-[[2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-4-chloranyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-4-chloranyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-chloro-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-chloro-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-chloro-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-chloro-2-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]phenoxy]methyl]benzoic acid Formula: C23H16ClN3O5 MolecularWeight: 449.84324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H16ClN3O5/c24-17-9-10-20(32-13-14-5-7-15(8-6-14)22(29)30)16(11-17)12-25-27-21(28)18-3-1-2-4-19(18)26-23(27)31/h1-12H,13H2,(H,26,31)(H,29,30)