4-[(4-nitrophenyl)amino]benzenecarbonitrile; 1H-1,2,4-triazole

Systemtic Name: 4-[(4-nitrophenyl)amino]benzenecarbonitrile; 1H-1,2,4-triazole Openeye Name: 4-(4-nitroanilino)benzonitrile; 1H-1,2,4-triazole CAS Name: 4-(4-nitroanilino)benzonitrile; 1H-1,2,4-triazole IUPAC Name: 4-(4-nitroanilino)benzonitrile; 1H-1,2,4-triazole Traditional Name: 4-(4-nitroanilino)benzonitrile; 1H-1,2,4-triazole Formula: C15H12N6O2 MolecularWeight: 308.29478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=CC=C(C=C2)[N+](=O)[O-].C1=NC=NN1

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=CC=C(C=C2)[N+](=O)[O-].C1=NC=NN1

InChI

InChI=1S/C13H9N3O2.C2H3N3/c14-9-10-1-3-11(4-2-10)15-12-5-7-13(8-6-12)16(17)18;1-3-2-5-4-1/h1-8,15H;1-2H,(H,3,4,5)