2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-(2,5-dimethylphenyl)ethanone

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-(2,5-dimethylphenyl)ethanone Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(2,5-dimethylphenyl)ethanone CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(2,5-dimethylphenyl)ethanone IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(2,5-dimethylphenyl)ethanone Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(2,5-dimethylphenyl)ethanone Formula: C12H11BrN4O3 MolecularWeight: 339.14474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H11BrN4O3/c1-7-3-4-8(2)9(5-7)10(18)6-16-11(13)14-12(15-16)17(19)20/h3-5H,6H2,1-2H3