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

Systemtic Name: 4-[(4-nitrophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-nitrophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[(4-nitrophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(4-nitrophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[(4-nitrobenzyl)-(1,2,4-triazol-4-yl)amino]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)C#N)N3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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