4-chloranyl-3-nitro-N-octadecyl-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-3-nitro-N-octadecyl-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-3-nitro-N-octadecyl-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-3-nitro-N-octadecyl-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-3-nitro-N-octadecyl-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-3-nitro-N-stearyl-1H-pyrazole-5-carboxamide Formula: C22H39ClN4O3 MolecularWeight: 443.02306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C(=NN1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C(=NN1)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H39ClN4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(28)20-19(23)21(26-25-20)27(29)30/h2-18H2,1H3,(H,24,28)(H,25,26)