(4-quinoxalin-2-ylphenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-quinoxalin-2-ylphenyl) 3,5-dinitrobenzoate Openeye Name: (4-quinoxalin-2-ylphenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-(2-quinoxalinyl)phenyl] ester IUPAC Name: (4-quinoxalin-2-ylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-quinoxalin-2-ylphenyl) ester Formula: C21H12N4O6 MolecularWeight: 416.34318

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(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H12N4O6/c26-21(14-9-15(24(27)28)11-16(10-14)25(29)30)31-17-7-5-13(6-8-17)20-12-22-18-3-1-2-4-19(18)23-20/h1-12H