Molecule ID: 137553756

IUPAC Name: 3-[(E)-[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]-2-oxo-4H-imidazol-5-olate

Description: The molecule is the organic anion resulting from the removal of a proton from the hydrogen-bearing nitrogen atom of azumolene. It is a conjugate base of an azumolene.

SMILES: O=C1N=C([O-])CN1/N=C/c1ncc(-c2ccc(Br)cc2)o1

SELFIES: [O][=C][N][=C][Branch1][C][O-1][C][N][Ring1][=Branch1][/N][=C][/C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][N]

InChI: InChI=1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)/p-1/b16-6+

Molecular Properties:
- Polar Surface Area: 94.1 Ų
- LogP: 2.8