2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-nitrophenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-nitrophenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O2/c1-14-6-8-16(9-7-14)21-22-19-5-3-2-4-18(19)20(23-24-21)15-10-12-17(13-11-15)25(26)27/h2-13,23H,1H3