1-(4-bromophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(4-bromophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(4-bromophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(4-bromophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(4-bromophenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C11H9BrN4O3 MolecularWeight: 325.11816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C11H9BrN4O3/c1-7-13-11(16(18)19)14-15(7)6-10(17)8-2-4-9(12)5-3-8/h2-5H,6H2,1H3