4-[2-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[2-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzenecarbonitrile Openeye Name: 4-[2-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile CAS Name: 4-[2-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile IUPAC Name: 4-[2-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile Traditional Name: 4-[2-(4-nitrophenyl)ethyl-(1H-1,2,4-triazol-5-yl)amino]benzonitrile Formula: C17H14N6O2 MolecularWeight: 334.33206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN(C2=CC=C(C=C2)C#N)C3=NC=NN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCN(C2=CC=C(C=C2)C#N)C3=NC=NN3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O2/c18-11-14-3-5-15(6-4-14)22(17-19-12-20-21-17)10-9-13-1-7-16(8-2-13)23(24)25/h1-8,12H,9-10H2,(H,19,20,21)