1-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-3-methoxy-propan-2-ol

Systemtic Name: 1-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-3-methoxy-propan-2-ol Openeye Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3-methoxy-propan-2-ol CAS Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3-methoxy-2-propanol IUPAC Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3-methoxypropan-2-ol Traditional Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3-methoxy-propan-2-ol Formula: C6H9BrN4O4 MolecularWeight: 281.06406

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CN1C(=NC(=N1)[N+](=O)[O-])Br)O

Isomeric SMILES

COCC(CN1C(=NC(=N1)[N+](=O)[O-])Br)O

InChI

InChI=1S/C6H9BrN4O4/c1-15-3-4(12)2-10-5(7)8-6(9-10)11(13)14/h4,12H,2-3H2,1H3