2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-benzo[i][1,3,4]benzotriazepine

Systemtic Name: 2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(4-nitrophenyl)-2-(p-tolyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-(4-nitrophenyl)-2-(p-tolyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H18N4O2/c1-16-6-8-19(9-7-16)25-26-24-21-5-3-2-4-17(21)12-15-22(24)23(27-28-25)18-10-13-20(14-11-18)29(30)31/h2-15,27H,1H3