[5,7-bis(bromanyl)quinolin-8-yl] 3,5-dinitrobenzoate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 3,5-dinitrobenzoate Openeye Name: (5,7-dibromo-8-quinolyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (5,7-dibromo-8-quinolyl) ester Formula: C16H7Br2N3O6 MolecularWeight: 497.05128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2Br)Br)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N=C1

Isomeric SMILES

C1=CC2=C(C(=C(C=C2Br)Br)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N=C1

InChI

InChI=1S/C16H7Br2N3O6/c17-12-7-13(18)15(14-11(12)2-1-3-19-14)27-16(22)8-4-9(20(23)24)6-10(5-8)21(25)26/h1-7H