5-bromanyl-1-but-2-ynyl-3-nitro-1,2,4-triazole

Systemtic Name: 5-bromanyl-1-but-2-ynyl-3-nitro-1,2,4-triazole Openeye Name: 5-bromo-1-but-2-ynyl-3-nitro-1,2,4-triazole CAS Name: 5-bromo-1-but-2-ynyl-3-nitro-1,2,4-triazole IUPAC Name: 5-bromo-1-but-2-ynyl-3-nitro-1,2,4-triazole Traditional Name: 5-bromo-1-but-2-ynyl-3-nitro-1,2,4-triazole Formula: C6H5BrN4O2 MolecularWeight: 245.0335

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=NC(=N1)[N+](=O)[O-])Br

Isomeric SMILES

CC#CCN1C(=NC(=N1)[N+](=O)[O-])Br

InChI

InChI=1S/C6H5BrN4O2/c1-2-3-4-10-5(7)8-6(9-10)11(12)13/h4H2,1H3