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

Systemtic Name: 4-[[(4-nitrophenyl)amino]methyl]benzenecarbonitrile; 1H-1,2,4-triazole Openeye Name: 4-[(4-nitroanilino)methyl]benzonitrile; 1H-1,2,4-triazole CAS Name: 4-[(4-nitroanilino)methyl]benzonitrile; 1H-1,2,4-triazole IUPAC Name: 4-[(4-nitroanilino)methyl]benzonitrile; 1H-1,2,4-triazole Traditional Name: 4-[(4-nitroanilino)methyl]benzonitrile; 1H-1,2,4-triazole Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)[N+](=O)[O-])C#N.C1=NC=NN1

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)[N+](=O)[O-])C#N.C1=NC=NN1

InChI

InChI=1S/C14H11N3O2.C2H3N3/c15-9-11-1-3-12(4-2-11)10-16-13-5-7-14(8-6-13)17(18)19;1-3-2-5-4-1/h1-8,16H,10H2;1-2H,(H,3,4,5)