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

Systemtic Name: 3-methoxy-4-nitro-N-octadecyl-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-octadecyl-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-4-nitro-N-octadecyl-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-4-nitro-N-octadecyl-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-4-nitro-N-stearyl-1H-pyrazole-5-carboxamide Formula: C23H42N4O4 MolecularWeight: 438.60398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(28)20-21(27(29)30)23(31-2)26-25-20/h3-19H2,1-2H3,(H,24,28)(H,25,26)