2-(4-nitropyrazol-1-yl)-N-octadecyl-butanamide

Systemtic Name: 2-(4-nitropyrazol-1-yl)-N-octadecyl-butanamide Openeye Name: 2-(4-nitropyrazol-1-yl)-N-octadecyl-butanamide CAS Name: 2-(4-nitro-1-pyrazolyl)-N-octadecylbutanamide IUPAC Name: 2-(4-nitropyrazol-1-yl)-N-octadecylbutanamide Traditional Name: 2-(4-nitropyrazol-1-yl)-N-stearyl-butyramide Formula: C25H46N4O3 MolecularWeight: 450.65774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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