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

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-phenyl-ethanone Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-phenyl-ethanone CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-phenylethanone IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-phenylethanone Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-phenyl-ethanone Formula: C10H7BrN4O3 MolecularWeight: 311.09158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7BrN4O3/c11-9-12-10(15(17)18)13-14(9)6-8(16)7-4-2-1-3-5-7/h1-5H,6H2