5-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]isophthalic acid Formula: C18H14ClN3O6 MolecularWeight: 403.77326

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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)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O6/c1-27-13-6-11-12(7-14(13)28-2)21-18(19)22-15(11)20-10-4-8(16(23)24)3-9(5-10)17(25)26/h3-7H,1-2H3,(H,23,24)(H,25,26)(H,20,21,22)