4-[[(4-nitrophenyl)-(1,2,4-triazol-4-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(4-nitrophenyl)-(1,2,4-triazol-4-yl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[4-nitro-N-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile CAS Name: 4-[[4-nitro-N-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile IUPAC Name: 4-[[4-nitro-N-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile Traditional Name: 4-[[4-nitro-N-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile Formula: C16H12N6O2 MolecularWeight: 320.30548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3)C#N

InChI

InChI=1S/C16H12N6O2/c17-9-13-1-3-14(4-2-13)10-21(20-11-18-19-12-20)15-5-7-16(8-6-15)22(23)24/h1-8,11-12H,10H2