5-bromanyl-2-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid Openeye Name: 5-bromo-2-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid CAS Name: 5-bromo-2-[(6,7-dimethoxy-4-quinazolinyl)amino]benzoic acid IUPAC Name: 5-bromo-2-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid Traditional Name: 5-bromo-2-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O4/c1-24-14-6-10-13(7-15(14)25-2)19-8-20-16(10)21-12-4-3-9(18)5-11(12)17(22)23/h3-8H,1-2H3,(H,22,23)(H,19,20,21)