3-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate

Systemtic Name: 3-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate Openeye Name: 3-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate CAS Name: 3-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]benzoate IUPAC Name: 3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzoate Traditional Name: 3-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate Formula: C17H13ClN3O4- MolecularWeight: 358.75582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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