2-[(6-bromanylquinazolin-4-yl)-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: 2-[(6-bromanylquinazolin-4-yl)-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: 2-[(6-bromoquinazolin-4-yl)-(2-oxido-2-oxo-ethyl)amino]acetate CAS Name: 2-[(6-bromo-4-quinazolinyl)-(2-oxido-2-oxoethyl)amino]acetate IUPAC Name: 2-[(6-bromoquinazolin-4-yl)-(2-oxido-2-oxoethyl)amino]acetate Traditional Name: 2-[(6-bromoquinazolin-4-yl)-(2-keto-2-oxido-ethyl)amino]acetate Formula: C12H8BrN3O4-2 MolecularWeight: 338.11362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrN3O4/c13-7-1-2-9-8(3-7)12(15-6-14-9)16(4-10(17)18)5-11(19)20/h1-3,6H,4-5H2,(H,17,18)(H,19,20)/p-2