3-[(6-iodanylquinazolin-4-yl)amino]benzoate

Systemtic Name: 3-[(6-iodanylquinazolin-4-yl)amino]benzoate Openeye Name: 3-[(6-iodoquinazolin-4-yl)amino]benzoate CAS Name: 3-[(6-iodo-4-quinazolinyl)amino]benzoate IUPAC Name: 3-[(6-iodoquinazolin-4-yl)amino]benzoate Traditional Name: 3-[(6-iodoquinazolin-4-yl)amino]benzoate Formula: C15H9IN3O2- MolecularWeight: 390.15533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)I)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)I)C(=O)[O-]

InChI

InChI=1S/C15H10IN3O2/c16-10-4-5-13-12(7-10)14(18-8-17-13)19-11-3-1-2-9(6-11)15(20)21/h1-8H,(H,20,21)(H,17,18,19)/p-1