4-[[3-(methylamino)-4-nitro-phenyl]-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[[3-(methylamino)-4-nitro-phenyl]-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[3-(methylamino)-4-nitro-N-(1,2,4-triazol-4-yl)anilino]benzonitrile CAS Name: 4-[3-(methylamino)-4-nitro-N-(1,2,4-triazol-4-yl)anilino]benzonitrile IUPAC Name: 4-[3-(methylamino)-4-nitro-N-(1,2,4-triazol-4-yl)anilino]benzonitrile Traditional Name: 4-[3-(methylamino)-4-nitro-N-(1,2,4-triazol-4-yl)anilino]benzonitrile Formula: C16H13N7O2 MolecularWeight: 335.32012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N(C2=CC=C(C=C2)C#N)N3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N(C2=CC=C(C=C2)C#N)N3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O2/c1-18-15-8-14(6-7-16(15)23(24)25)22(21-10-19-20-11-21)13-4-2-12(9-17)3-5-13/h2-8,10-11,18H,1H3