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

Systemtic Name: 7-chloranyl-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Openeye Name: 7-chloro-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine CAS Name: 7-chloro-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-chloro-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Traditional Name: 7-chloro-2-(4-fluorophenyl)-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepine Formula: C20H12ClFN4O2 MolecularWeight: 394.786283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C(C=CC3=NC(=NN2)C4=CC=C(C=C4)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H12ClFN4O2/c21-14-5-10-18-17(11-14)19(12-3-8-16(9-4-12)26(27)28)24-25-20(23-18)13-1-6-15(22)7-2-13/h1-11,24H