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

Systemtic Name: 4-[(2,4-dinitrophenyl)-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[2,4-dinitro-N-(1,2,4-triazol-4-yl)anilino]benzonitrile CAS Name: 4-[2,4-dinitro-N-(1,2,4-triazol-4-yl)anilino]benzonitrile IUPAC Name: 4-[2,4-dinitro-N-(1,2,4-triazol-4-yl)anilino]benzonitrile Traditional Name: 4-[2,4-dinitro-N-(1,2,4-triazol-4-yl)anilino]benzonitrile Formula: C15H9N7O4 MolecularWeight: 351.27646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N3C=NN=C3

InChI

InChI=1S/C15H9N7O4/c16-8-11-1-3-12(4-2-11)20(19-9-17-18-10-19)14-6-5-13(21(23)24)7-15(14)22(25)26/h1-7,9-10H