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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)19-21-28-22-24(29(31)32)23(2)27-28/h22H,3-21H2,1-2H3,(H,26,30)