3-(5-methyl-4-nitro-pyrazol-1-yl)-N-octadecyl-propanamide

Systemtic Name: 3-(5-methyl-4-nitro-pyrazol-1-yl)-N-octadecyl-propanamide Openeye Name: 3-(5-methyl-4-nitro-pyrazol-1-yl)-N-octadecyl-propanamide CAS Name: 3-(5-methyl-4-nitro-1-pyrazolyl)-N-octadecylpropanamide IUPAC Name: 3-(5-methyl-4-nitropyrazol-1-yl)-N-octadecylpropanamide Traditional Name: 3-(5-methyl-4-nitro-pyrazol-1-yl)-N-stearyl-propionamide Formula: C25H46N4O3 MolecularWeight: 450.65774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCN1C(=C(C=N1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CCN1C(=C(C=N1)[N+](=O)[O-])C

InChI

InChI=1S/C25H46N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26-25(30)19-21-28-23(2)24(22-27-28)29(31)32/h22H,3-21H2,1-2H3,(H,26,30)