4-(4-chlorophenyl)-8-ethyl-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine

Systemtic Name: 4-(4-chlorophenyl)-8-ethyl-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-chlorophenyl)-8-ethyl-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-chlorophenyl)-8-ethyl-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-chlorophenyl)-8-ethyl-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Traditional Name: 4-(4-chlorophenyl)-8-ethyl-2-(4-nitrophenyl)-1H-1,3,5-benzotriazepine Formula: C22H17ClN4O2 MolecularWeight: 404.84898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN4O2/c1-2-14-3-12-19-20(13-14)25-22(16-6-10-18(11-7-16)27(28)29)26-21(24-19)15-4-8-17(23)9-5-15/h3-13H,2H2,1H3,(H,24,25,26)