5-methyl-4-nitroso-2-octyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-nitroso-2-octyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-nitroso-2-octyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-nitroso-2-octyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-nitroso-2-octyl-1H-pyrazol-3-one Traditional Name: 5-methyl-4-nitroso-2-octyl-3-pyrazolin-3-one Formula: C12H21N3O2 MolecularWeight: 239.31404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=C(N1)C)N=O

Isomeric SMILES

CCCCCCCCN1C(=O)C(=C(N1)C)N=O

InChI

InChI=1S/C12H21N3O2/c1-3-4-5-6-7-8-9-15-12(16)11(14-17)10(2)13-15/h13H,3-9H2,1-2H3