5-bromanyl-1-(naphthalen-2-ylmethyl)-3-nitro-1,2,4-triazole

Systemtic Name: 5-bromanyl-1-(naphthalen-2-ylmethyl)-3-nitro-1,2,4-triazole Openeye Name: 5-bromo-1-(2-naphthylmethyl)-3-nitro-1,2,4-triazole CAS Name: 5-bromo-1-(2-naphthalenylmethyl)-3-nitro-1,2,4-triazole IUPAC Name: 5-bromo-1-(naphthalen-2-ylmethyl)-3-nitro-1,2,4-triazole Traditional Name: 5-bromo-1-(2-naphthylmethyl)-3-nitro-1,2,4-triazole Formula: C13H9BrN4O2 MolecularWeight: 333.14016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C(=NC(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C(=NC(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C13H9BrN4O2/c14-12-15-13(18(19)20)16-17(12)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2