2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N,N-diethyl-ethanamide

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-N,N-diethyl-ethanamide Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N,N-diethyl-acetamide CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N,N-diethylacetamide IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N,N-diethylacetamide Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N,N-diethyl-acetamide Formula: C8H12BrN5O3 MolecularWeight: 306.11658

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C(=NC(=N1)[N+](=O)[O-])Br

Isomeric SMILES

CCN(CC)C(=O)CN1C(=NC(=N1)[N+](=O)[O-])Br

InChI

InChI=1S/C8H12BrN5O3/c1-3-12(4-2)6(15)5-13-7(9)10-8(11-13)14(16)17/h3-5H2,1-2H3