(4-quinoxalin-2-ylphenyl) 2-bromanylbenzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 2-bromanylbenzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C21H13BrN2O2 MolecularWeight: 405.24412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3)Br

InChI

InChI=1S/C21H13BrN2O2/c22-17-6-2-1-5-16(17)21(25)26-15-11-9-14(10-12-15)20-13-23-18-7-3-4-8-19(18)24-20/h1-13H