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

Systemtic Name: 7-chloranyl-2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-5-(4-nitrophenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-2-(4-methylphenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-5-(4-nitrophenyl)-2-(p-tolyl)-4H-1,3,4-benzotriazepine Formula: C21H15ClN4O2 MolecularWeight: 390.8224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O2/c1-13-2-4-15(5-3-13)21-23-19-11-8-16(22)12-18(19)20(24-25-21)14-6-9-17(10-7-14)26(27)28/h2-12,24H,1H3