4-nitro-N-(phenylmethyl)aniline; 1H-1,2,4-triazole

Systemtic Name: 4-nitro-N-(phenylmethyl)aniline; 1H-1,2,4-triazole Openeye Name: N-benzyl-4-nitro-aniline; 1H-1,2,4-triazole CAS Name: 4-nitro-N-(phenylmethyl)aniline; 1H-1,2,4-triazole IUPAC Name: N-benzyl-4-nitroaniline; 1H-1,2,4-triazole Traditional Name: benzyl-(4-nitrophenyl)amine; 1H-1,2,4-triazole Formula: C15H15N5O2 MolecularWeight: 297.3119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=C(C=C2)[N+](=O)[O-].C1=NC=NN1

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=C(C=C2)[N+](=O)[O-].C1=NC=NN1

InChI

InChI=1S/C13H12N2O2.C2H3N3/c16-15(17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;1-3-2-5-4-1/h1-9,14H,10H2;1-2H,(H,3,4,5)