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

Systemtic Name: 4-[(2,4-dinitrophenyl)amino]benzenecarbonitrile; 1H-1,2,4-triazole Openeye Name: 4-(2,4-dinitroanilino)benzonitrile; 1H-1,2,4-triazole CAS Name: 4-(2,4-dinitroanilino)benzonitrile; 1H-1,2,4-triazole IUPAC Name: 4-(2,4-dinitroanilino)benzonitrile; 1H-1,2,4-triazole Traditional Name: 4-(2,4-dinitroanilino)benzonitrile; 1H-1,2,4-triazole Formula: C15H11N7O4 MolecularWeight: 353.29234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N4O4.C2H3N3/c14-8-9-1-3-10(4-2-9)15-12-6-5-11(16(18)19)7-13(12)17(20)21;1-3-2-5-4-1/h1-7,15H;1-2H,(H,3,4,5)