N-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]-1,2,4-triazol-1-amine

Systemtic Name: N-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]-1,2,4-triazol-1-amine Openeye Name: N-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]-1,2,4-triazol-1-amine CAS Name: N-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]-1,2,4-triazol-1-amine IUPAC Name: N-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]-1,2,4-triazol-1-amine Traditional Name: (4-nitrobenzyl)-(4-nitrophenyl)-(1,2,4-triazol-1-yl)amine Formula: C15H12N6O4 MolecularWeight: 340.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O4/c22-20(23)14-3-1-12(2-4-14)9-18(19-11-16-10-17-19)13-5-7-15(8-6-13)21(24)25/h1-8,10-11H,9H2