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

Systemtic Name: 4-[(4-nitrophenyl)-(1,2,4-triazol-1-yl)amino]benzenecarbonitrile Openeye Name: 4-[4-nitro-N-(1,2,4-triazol-1-yl)anilino]benzonitrile CAS Name: 4-[4-nitro-N-(1,2,4-triazol-1-yl)anilino]benzonitrile IUPAC Name: 4-[4-nitro-N-(1,2,4-triazol-1-yl)anilino]benzonitrile Traditional Name: 4-[4-nitro-N-(1,2,4-triazol-1-yl)anilino]benzonitrile Formula: C15H10N6O2 MolecularWeight: 306.2789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3

InChI

InChI=1S/C15H10N6O2/c16-9-12-1-3-13(4-2-12)20(19-11-17-10-18-19)14-5-7-15(8-6-14)21(22)23/h1-8,10-11H