4-chloranyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid Openeye Name: 4-chloro-3-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid CAS Name: 4-chloro-3-[(6,7-dimethoxy-4-quinazolinyl)amino]benzoic acid IUPAC Name: 4-chloro-3-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid Traditional Name: 4-chloro-3-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid Formula: C17H14ClN3O4 MolecularWeight: 359.76376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)O)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)O)Cl)OC

InChI

InChI=1S/C17H14ClN3O4/c1-24-14-6-10-12(7-15(14)25-2)19-8-20-16(10)21-13-5-9(17(22)23)3-4-11(13)18/h3-8H,1-2H3,(H,22,23)(H,19,20,21)