2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-hexyl-ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-hexyl-ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-hexyl-acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-hexylacetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-hexylacetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-hexyl-acetamide Formula: C13H22N4O3 MolecularWeight: 282.33878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O3/c1-4-5-6-7-8-14-12(18)9-16-11(3)13(17(19)20)10(2)15-16/h4-9H2,1-3H3,(H,14,18)