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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-octadecyl-propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-octadecyl-propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-N-octadecylpropanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-octadecylpropanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-stearyl-propionamide Formula: C27H50N4O3 MolecularWeight: 478.7109

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(C)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(C)CN1C(=C(C(=N1)C)[N+](=O)[O-])C

InChI

InChI=1S/C27H50N4O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-27(32)23(2)22-30-25(4)26(31(33)34)24(3)29-30/h23H,5-22H2,1-4H3,(H,28,32)