5-methoxy-6,8-dinitro-benzo[f][2,1,3]benzothiadiazole-4,9-dione

Systemtic Name: 5-methoxy-6,8-dinitro-benzo[f][2,1,3]benzothiadiazole-4,9-dione Openeye Name: 5-methoxy-6,8-dinitro-benzo[f][2,1,3]benzothiadiazole-4,9-dione CAS Name: 5-methoxy-6,8-dinitrobenzo[f][2,1,3]benzothiadiazole-4,9-dione IUPAC Name: 5-methoxy-6,8-dinitrobenzo[f][2,1,3]benzothiadiazole-4,9-dione Traditional Name: 5-methoxy-6,8-dinitro-benzo[f][2,1,3]benzothiadiazole-4,9-quinone Formula: C11H4N4O7S MolecularWeight: 336.23706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=C1C(=O)C3=NSN=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C2=C1C(=O)C3=NSN=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H4N4O7S/c1-22-11-4(15(20)21)2-3(14(18)19)5-6(11)10(17)8-7(9(5)16)12-23-13-8/h2H,1H3