2-(4-chloranylphenoxy)-5-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(4-chloranylphenoxy)-5-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(4-chlorophenoxy)-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,4-benzoquinone CAS Name: 2-(4-chlorophenoxy)-5-[(6,7-dimethoxy-4-quinazolinyl)amino]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(4-chlorophenoxy)-5-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(4-chlorophenoxy)-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-p-benzoquinone Formula: C22H16ClN3O5 MolecularWeight: 437.83254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=O)C(=CC3=O)OC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=O)C(=CC3=O)OC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C22H16ClN3O5/c1-29-20-7-14-15(9-21(20)30-2)24-11-25-22(14)26-16-8-18(28)19(10-17(16)27)31-13-5-3-12(23)4-6-13/h3-11H,1-2H3,(H,24,25,26)