2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(2-ethyl-6-methyl-phenyl)ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N-(2-ethyl-6-methyl-phenyl)ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C13H14BrN5O3 MolecularWeight: 368.18596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C13H14BrN5O3/c1-3-9-6-4-5-8(2)11(9)15-10(20)7-18-12(14)16-13(17-18)19(21)22/h4-6H,3,7H2,1-2H3,(H,15,20)