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

Systemtic Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H18N4O3/c1-32-20-13-8-18(9-14-20)25-26-24-21-5-3-2-4-16(21)10-15-22(24)23(27-28-25)17-6-11-19(12-7-17)29(30)31/h2-15,27H,1H3