2-[[2-[(2-carboxyphenyl)amino]quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-[(2-carboxyphenyl)amino]quinazolin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(2-carboxyanilino)quinazolin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(2-carboxyanilino)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 2-[[2-(2-carboxyanilino)quinazolin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(2-carboxyanilino)quinazolin-4-yl]amino]benzoic acid Formula: C22H16N4O4 MolecularWeight: 400.38684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC=CC=C3C(=O)O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC=CC=C3C(=O)O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H16N4O4/c27-20(28)14-8-2-5-11-17(14)23-19-13-7-1-4-10-16(13)24-22(26-19)25-18-12-6-3-9-15(18)21(29)30/h1-12H,(H,27,28)(H,29,30)(H2,23,24,25,26)