N-[(3-bromophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine

Systemtic Name: N-[(3-bromophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Openeye Name: N-[(3-bromophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine CAS Name: N-[(3-bromophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine IUPAC Name: N-[(3-bromophenyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Traditional Name: (3-bromobenzyl)-(4-nitrophenyl)-(1,2,4-triazol-4-yl)amine Formula: C15H12BrN5O2 MolecularWeight: 374.19208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN(C2=CC=C(C=C2)[N+](=O)[O-])N3C=NN=C3

InChI

InChI=1S/C15H12BrN5O2/c16-13-3-1-2-12(8-13)9-20(19-10-17-18-11-19)14-4-6-15(7-5-14)21(22)23/h1-8,10-11H,9H2