6-(4-methylphenyl)-8,10-dinitro-11H-benzo[b][1,4]benzodiazepine

Systemtic Name: 6-(4-methylphenyl)-8,10-dinitro-11H-benzo[b][1,4]benzodiazepine Openeye Name: 8,10-dinitro-6-(p-tolyl)-11H-benzo[b][1,4]benzodiazepine CAS Name: 6-(4-methylphenyl)-8,10-dinitro-11H-benzo[b][1,4]benzodiazepine IUPAC Name: 6-(4-methylphenyl)-8,10-dinitro-11H-benzo[b][1,4]benzodiazepine Traditional Name: 8,10-dinitro-6-(p-tolyl)-11H-benzo[b][1,4]benzodiazepine Formula: C20H14N4O4 MolecularWeight: 374.34956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC4=C(C=C(C=C42)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4/c1-12-6-8-13(9-7-12)19-15-10-14(23(25)26)11-18(24(27)28)20(15)22-17-5-3-2-4-16(17)21-19/h2-11,22H,1H3