(4-quinoxalin-2-ylphenyl) 3-bromanyl-4-nitro-benzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 3-bromanyl-4-nitro-benzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 3-bromo-4-nitro-benzoate CAS Name: 3-bromo-4-nitrobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 3-bromo-4-nitrobenzoate Traditional Name: 3-bromo-4-nitro-benzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C21H12BrN3O4 MolecularWeight: 450.24168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C21H12BrN3O4/c22-16-11-14(7-10-20(16)25(27)28)21(26)29-15-8-5-13(6-9-15)19-12-23-17-3-1-2-4-18(17)24-19/h1-12H