2-[[2-[(2-carboxylatophenyl)amino]quinazolin-4-yl]amino]benzoate

Systemtic Name: 2-[[2-[(2-carboxylatophenyl)amino]quinazolin-4-yl]amino]benzoate Openeye Name: 2-[[2-(2-carboxylatoanilino)quinazolin-4-yl]amino]benzoate CAS Name: 2-[[2-(2-carboxylatoanilino)-4-quinazolinyl]amino]benzoate IUPAC Name: 2-[[2-(2-carboxylatoanilino)quinazolin-4-yl]amino]benzoate Traditional Name: 2-[[2-(2-carboxylatoanilino)quinazolin-4-yl]amino]benzoate Formula: C22H14N4O4-2 MolecularWeight: 398.37096

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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)/p-2