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

Systemtic Name: 4-chloranyl-2-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid Openeye Name: 4-chloro-2-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid CAS Name: 4-chloro-2-[(6,7-dimethoxy-4-quinazolinyl)amino]benzoic acid IUPAC Name: 4-chloro-2-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid Traditional Name: 4-chloro-2-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid Formula: C17H14ClN3O4 MolecularWeight: 359.76376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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