5-bromanyl-2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate

Systemtic Name: 5-bromanyl-2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate Openeye Name: 5-bromo-2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate CAS Name: 5-bromo-2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]benzoate IUPAC Name: 5-bromo-2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzoate Traditional Name: 5-bromo-2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate Formula: C17H12BrClN3O4- MolecularWeight: 437.65188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC3=C(C=C(C=C3)Br)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC3=C(C=C(C=C3)Br)C(=O)[O-])OC

InChI

InChI=1S/C17H13BrClN3O4/c1-25-13-6-9-12(7-14(13)26-2)21-17(19)22-15(9)20-11-4-3-8(18)5-10(11)16(23)24/h3-7H,1-2H3,(H,23,24)(H,20,21,22)/p-1