2-(3-bromanyl-5-methyl-4-nitro-pyrazol-1-yl)ethyl hydrogen sulfite

Systemtic Name: 2-(3-bromanyl-5-methyl-4-nitro-pyrazol-1-yl)ethyl hydrogen sulfite Openeye Name: 2-(3-bromo-5-methyl-4-nitro-pyrazol-1-yl)ethyl hydrogen sulfite CAS Name: sulfurous acid 2-(3-bromo-5-methyl-4-nitro-1-pyrazolyl)ethyl ester IUPAC Name: 2-(3-bromo-5-methyl-4-nitropyrazol-1-yl)ethyl hydrogen sulfite Traditional Name: sulfurous acid 2-(3-bromo-5-methyl-4-nitro-pyrazol-1-yl)ethyl ester Formula: C6H8BrN3O5S MolecularWeight: 314.11382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCOS(=O)O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCOS(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H8BrN3O5S/c1-4-5(10(11)12)6(7)8-9(4)2-3-15-16(13)14/h2-3H2,1H3,(H,13,14)