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

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-methoxyphenyl)ethanone Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-methoxyphenyl)ethanone CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-methoxyphenyl)ethanone Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-methoxyphenyl)ethanone Formula: C11H9BrN4O4 MolecularWeight: 341.11756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C11H9BrN4O4/c1-20-8-4-2-7(3-5-8)9(17)6-15-10(12)13-11(14-15)16(18)19/h2-5H,6H2,1H3