2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-octadecyl-propanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-octadecyl-propanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-octadecyl-propanamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-octadecylpropanamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-octadecylpropanamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-stearyl-propionamide Formula: C26H48N4O3 MolecularWeight: 464.68432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48N4O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-26(31)24(4)29-23(3)25(30(32)33)22(2)28-29/h24H,5-21H2,1-4H3,(H,27,31)