5-[(6-bromanylquinazolin-4-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(6-bromanylquinazolin-4-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(6-bromoquinazolin-4-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(6-bromo-4-quinazolinyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(6-bromoquinazolin-4-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-bromoquinazolin-4-yl)amino]isophthalate Formula: C16H8BrN3O4-2 MolecularWeight: 386.15642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC=N2)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC=N2)NC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H10BrN3O4/c17-10-1-2-13-12(6-10)14(19-7-18-13)20-11-4-8(15(21)22)3-9(5-11)16(23)24/h1-7H,(H,21,22)(H,23,24)(H,18,19,20)/p-2