2-(5-methyl-3-nitro-pyrazol-1-yl)-N-octadecyl-propanamide

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-octadecyl-propanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-octadecyl-propanamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-octadecylpropanamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-octadecylpropanamide Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-stearyl-propionamide Formula: C25H46N4O3 MolecularWeight: 450.65774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(C)N1C(=CC(=N1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(C)N1C(=CC(=N1)[N+](=O)[O-])C

InChI

InChI=1S/C25H46N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(30)23(3)28-22(2)21-24(27-28)29(31)32/h21,23H,4-20H2,1-3H3,(H,26,30)