1-(4-bromanyl-3-nitro-pyrazol-1-yl)propan-2-one

Systemtic Name: 1-(4-bromanyl-3-nitro-pyrazol-1-yl)propan-2-one Openeye Name: 1-(4-bromo-3-nitro-pyrazol-1-yl)propan-2-one CAS Name: 1-(4-bromo-3-nitro-1-pyrazolyl)-2-propanone IUPAC Name: 1-(4-bromo-3-nitropyrazol-1-yl)propan-2-one Traditional Name: 1-(4-bromo-3-nitro-pyrazol-1-yl)acetone Formula: C6H6BrN3O3 MolecularWeight: 248.03414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6BrN3O3/c1-4(11)2-9-3-5(7)6(8-9)10(12)13/h3H,2H2,1H3